Born expansion of the Casimir–Polder interaction of a ground-state atom with dielectric bodies

Within leading-order perturbation theory, the Casimir–Polder potential of a ground-state atom placed within an arbitrary arrangement of dispersing and absorbing linear bodies can be expressed in terms of the polarizability of the atom and the scattering Green tensor of the body-assisted electromagnetic field. Based on a Born series of the Green tensor, a systematic expansion of the Casimir–Polder potential in powers of the electric susceptibilities of the bodies is presented. The Born expansion is used to show how and under which conditions the Casimir–Polder force can be related to microscopic many-atom van der Waals forces, for which general expressions are presented. As an application, the Casimir–Polder potentials of an atom near a dielectric ring and an inhomogeneous dielectric half space are studied and explicit expressions are presented that are valid up to second order in the susceptibility. PACS 12.20.-m; 34.50.Dy; 34.20.-b; 42.50.Nn     

Dynamical van der Waals atom–surface interaction

We obtained new nonrelativistic expression for the dynamical van der Waals atom–surface interaction energy of a very convenient form for different applications. It is shown that classical result (Ferrell and Ritchie, 1980) holds only for a very slowly moving atom. In general case, the van der Waals atom–surface interaction energy manifests strong nonlinear dependence on the velocity and distance. In close vicinity of metal and dielectric surfaces and velocities ranging from 1 to 10 bohr units the dynamical van der Waals potential proves to be several times lower than in the static case and goes to the static values with increasing the distance and (or) decreasing the velocity.     

First–principles study of potassium adsorption and diffusion on graphene

Potassium–ion batteries (KIBs) are a new–type of energy storage devices that have attracted increasing attention due to their low cost and the abundant resource of K in the Earth’s crust. Monolayer and multilayer graphene are promising electrode materials for KIBs. Herein, the adsorption and diffusion of potassium atoms on the surface of graphene were studied using the first–principles calculations including the van der Waals interaction. It was determined that K atoms can stably adsorb on the surface of graphene. The climbing image nudged elastic band method was employed to calculate the diffusion barriers of a single K atom and two K atoms on the surface of graphene. The results demonstrated that the diffusion barrier of a single K atom on graphene was low. The interaction between K atoms was considered and it facilitates the K atom diffusion to the second and third nearest–neighbour site of the K adatom, but prevents the K atom diffusion to the far nearest–neighbour site of the K adatom. Moreover, the difference in charge density demonstrates that there was a significant charge transfer from two K adatoms to its nearest–neighbour carbon atoms.     

Experimental observation of quantum reflection far from threshold

We present first experimental evidence for quantum reflection, originating exclusively from an attractive potential between an atom and a solid surface, at energies far from the threshold E(i)-->0. The system of light and stable 3He atoms scattering from an alpha-quartz crystal allows confirmation of recent theory on quantum reflection up to its asymptotic behavior, determined by the nonretarded van der Waals potential -C(3)/r(3). From the data, the gas-solid interaction potential is deduced quantitatively, covering the energy region, in which retardation plays a role.     

A one-site polarizable model for liquid chloroform: COS/C

A one-site polarizable liquid chloroform model based on the charge-on-spring method is presented. It consists of five van der Waals sites and point charges, with one polarizable center on the carbon atom. The partial charges were adjusted to fit the gas-phase dipole moment of chloroform, and the Lennard–Jones parameters were varied to reproduce the density and the heat of vapourization of liquid chloroform. In this way, a simple polarizable model for liquid chloroform was obtained that correctly describes a variety of its thermodynamic, dynamic and dielectric properties, while the computational costs are only a factor of 2 higher than for a similar non-polarizable chloroform model. The model is simpler than two previously developed polarizable chloroform models, with four or five polarizable sites. The developed COS/C model is expected to show realistic behaviour of chloroform molecules in response to changes in electric field strength or the dielectric environment and should be applicable in simulations of biomolecules in conjunction with the GROMOS biomolecular force field.     

Photoionization Microscopy of Rydberg Hydrogen Atom in a Generalized van der Waals Potential

The ionization dynamics of a Rydberg hydrogen atom in a generalized van der Waals potential is studied using a semiclassical analysis of photoionization microscopy. Interference patterns of the 2-D radial probability density of the electrons escaping from a photoionization process have been calculated to simulate the patterns recorded on a position-sensitive detector. The added contributions from different ionization trajectories from the atom to the detector generate the interference pattern. The interference pattern is sensitive to one of the parameters governing the electron motion in the generalized van der Waals potential. The photoionization microscopy pattern can therefore be controlled by changes in the external potential.     

范德华力对双壁碳纳米管轴向压缩屈曲行为的影响

使用分子动力学方法研究几种不同半径尺寸的单壁碳纳米管组成的双壁碳管，预测了其初始稳定构型；分析了其自由弛豫阶段的特征；并模拟了它们在轴向压缩载荷作用下的屈曲行为；研究了不同层间距导致的范德华力变化对屈曲行为的影响.采用Tersoff-Brenner势描述单壁碳纳米管内原子间作用，Lennard-Jones势描述内外层间的范德华相互作用.计算结果表明：在通常意义下的双壁管间距(约0.34 nm)外还可以存在稳定的双壁碳管构型，并且这些新的稳定构型表现出了不同的力学性质. 关键词： 双壁碳纳米管 分子动力学 屈曲     

Graphene on Ir(111): physisorption with chemical modulation

The nonlocal van der Waals density functional approach is applied to calculate the binding of graphene to Ir(111). The precise agreement of the calculated mean height h = 3.41 ? of the C atoms with their mean height h = (3.38±0.04) ? as measured by the x-ray standing wave technique provides a benchmark for the applicability of the nonlocal functional. We find bonding of graphene to Ir(111) to be due to the van der Waals interaction with an antibonding average contribution from chemical interaction. Despite its globally repulsive character, in certain areas of the large graphene moiré unit cell charge accumulation between Ir substrate and graphene C atoms is observed, signaling a weak covalent bond formation.     

On the van der Waals interaction of carbon nanocones

Based on the continuum Lennard-Jones model, the van der Waals interaction of two concentric and eccentric carbon nanocones with different or identical sizes are investigated in this paper. Also, on the basis of classical mathematical modeling techniques, a new semi-analytical solution is given to evaluate the van der Waals potential energy and interaction force distributions of two concentric carbon nanocones. Finally, a universal potential energy is presented for the carbon nanocones.     

Observation of atom wave phase shifts induced by van der Waals atom-surface interactions

The development of nanotechnology and atom optics relies on understanding how atoms behave and interact with their environment. Isolated atoms can exhibit wavelike (coherent) behavior with a corresponding de Broglie wavelength and phase which can be affected by nearby surfaces. Here an atom interferometer is used to measure the phase shift of Na atom waves induced by the walls of a 50 nm wide cavity. To our knowledge this is the first direct measurement of the de Broglie wave phase shift caused by atom-surface interactions. The magnitude of the phase shift is in agreement with that predicted by Lifshitz theory for a nonretarded van der Waals interaction. This experiment also demonstrates that atom waves can retain their coherence even when atom-surface distances are as small as 10 nm.     

Elargissement et deplacement par effet de pression des raies d'absorption de quelques multiplets de l'atome neutre de manganese

The profiles of many absorption lines, belonging to the violet and near ultra-violet resonance multiplets and to two intercombination multiplets of the MnI atom, have been determined in the presence of foreign gases at various pressures for several temperatures.Values of the Lennard-Jones interatomic potential constants have been derived from measurements of the line collision broadening and displacement. These values are tabulated. The temperature dependence of the broadening and displacement parameters, for some perturbers of the violet resonance lines has been examined. The discrepancies between theoretical and experimental values of the van der Waals constants, included in the formula of the Lennard-Jones potential, have been discussed. It is shown that, in the case of complex atoms, terms of multipole-dipole interaction must be included in the interatomic potential expressions.     

Manifestation of the van der Waals surface interaction in the spontaneous emission of atoms into an optical nanofiber

We study the spontaneous emission of atoms near an optical nanofiber and analyze the coupling efficiency of the spontaneous emission into a nanofiber. We also investigate the influence of the van der Waals interaction of atoms with the surface of the optical nanofiber on the spectrum of coupled light. Using, as an example, ⁸⁵Rb atoms we show that the van der Waals interaction may considerably extend the red wing of the spontaneous emission line and, accordingly, produce a well-defined asymmetry of the spontaneous emission spectrum coupled into an optical nanofiber.     

Van der Waals interactions between atoms and dispersive surfaces at finite temperature

The long-range interactions between an atomic system in an arbitrary energy level and dispersive surfaces in thermal equilibrium at non-zero temperature are revisited within the framework of the quantum-mechanical linear response theory, using generalized susceptibilities for both atom and electromagnetic field. After defining the observables of interest, one presents a general analysis of the atomic level shift valid for any number and form of dielectric surfaces. It is shown that, at zero temperature, one recovers well-known results previously obtained in the linear response regime. The case of a plane dispersive surface is elaborated on in the non-retarded regime. Calculations are given in detail for a dielectric surface exhibiting a single polariton resonance. Theoretical predictions are presented within a physical viewpoint allowing one to discriminate between the various interaction processes: on one hand, the level shift induced by non-resonant quantum fluctuations, on the other hand, two potentially resonant atom-surface couplings. The first resonant process appears for excited-state atoms and originates in an atomic de-excitation channel resonantly coupled to the surface polariton mode. It exists also at zero temperature, and has been studied and observed previously. The second physical process, which exists at non-zero temperature only, corresponds to the reverse process in which a thermal quantum excitation of a surface polariton resonantly couples to an atomic absorption channel. This novel phenomenon is predicted as well for a ground state atom, and can turn the ordinary long-range van der Waals attraction of atoms into a surface repulsion at increasing temperatures. This opens the way to the control and engineering of the sign and amplitude of van der Waals forces via surface temperature adjustment.     

A theory of membrane fusion

Two interacting membranes are considered as two flat hydrophilic layers on their surfaces separated by an agueous solution at a certain distance. The van der Waals attractive inbteraction energy between the two bodies at a given separation distance depends on the nature (interaction coefficient) of the surface hydrophilic layers and its thickness. When the surface hydrophilic layer becomes sufficiently similar to the bulk hydrocarbon bodies in nature or the thickness of the surface hydrophilic layer becomes small enough, the attrative interaction energy becomes large and the two bodies could fuse and become one. A general theory for such mambrane fusion is given in terms of molecular interaction energy.     

First-principles calculation of ZnS monolayer on Cu(111) surface

First-principles calculation is carried out on the interface of the ZnS(001) monolayerand Cu(111) surface. It is found that the ZnS monolayer significantly reconstructs aftergeometry optimization. The out-of-plane S atom has a positive displacement in thez directionwhile other atoms (Zn and S) have small displacements on the ZnS monolayer. The interfacestacking sequence has an influence on the flatness of the ZnS monolayer and the bindingenergy of the interface. There are two approaches for the ZnS monolayer to reach thelowest energy state which take place on the two kinds of S atoms in the ZnS monolayer andresult in the bulging feature. The van der Waals (vdW) interaction exists between ZnSmonolayer and Cu surface.     

Atomic scale mass delivery driven by bend kink in single walled carbon nanotube

The possibility of atomic scale mass delivery by bend kink in single walled carbon nanotube was investigated with the aid of molecular dynamics simulation. By keeping the bending angle while moving the tube end, the encapsulated atomic scale mass such as atom, molecule and atom group were successfully delivered through the nanotube. The van der Waals interaction between the encapsulated mass and the tube wall provided the driving force for the delivery. There were no dramatic changes in the van der Waals interaction, and a smooth and steady delivery was achieved when constant loading rate was applied. The influence of temperature on the atom group delivery was also analyzed. It is found raising temperature is harmful to the smooth movement of the atom group. However, the delivery rate can be promoted under higher temperature when the atom group is situated before the kink during the delivery.     

The van der Waals energy of an atom near a carbon nanotube

Using a unified macroscopic QED formalism, an integral equation for the van der Waals energy of a two-level atomic system near a carbon nanotube is derived. The equation is valid for both strong and weak atom-vacuum field coupling. By solving it numerically, the inapplicability of weak coupling-based van der Waals interaction models in the close vicinity of the nanotube surface is demonstrated. It is also shown that encapsulation of doped atoms into the nanotube is energetically more favorable than their outside adsorption by the nanotube surface.     

Dynamic van der Waals interaction of a moving atom with the walls of a flat slit

A general expression was obtained for the dynamic energy of the van der Waals interaction of a neutral atom with a flat slit whose walls are characterized by a frequency-dependent dielectric permittivity. The interaction of cesium atoms with the walls of metallic (Au) and dielectric (SiC) slits is analyzed numerically at speeds of 10⁴ to 10⁷ m/s. As the speed of atoms grows, the dynamic potentials near the walls become substantially smaller in magnitude than static potentials, but, in the intermediate region, the former exceed the latter by a factor of 1.5–2.0 in a specific range of speeds.     

Atomic reflection off conductor walls as a tool in cold atom traps

We explain why a system of cold ⁸⁵Rb atoms at temperatures of the order T≈ 7.78× 10^-5 K and below, but not too low to lie in the quantum reflection regime, should be automatically repelled from the surface of a conductor without the need of an evanescent field, as in a typical atom mirror, to counteract the van der Waals attraction. The repulsive potential arises naturally outside the conductor and is effective at distances from the conductor surface of about 400 nm, intermediate between the van der Waals and the Casimir-Polder regions of variation. We propose that such a field-free reflection capability should be useful as a component in cold atom traps. It should be practically free of undesirable field fluctuations and would be operative at distances for which surface roughness, dissipative effects and other finite conductivity effects should be negligibly small.     

Cold-atom physics using ultrathin optical fibers: light-induced dipole forces and surface interactions

The strong evanescent field around ultrathin unclad optical fibers bears a high potential for detecting, trapping, and manipulating cold atoms. Introducing such a fiber into a cold-atom cloud, we investigate the interaction of a small number of cold cesium atoms with the guided fiber mode and with the fiber surface. Using high resolution spectroscopy, we observe and analyze light-induced dipole forces, van der Waals interaction, and a significant enhancement of the spontaneous emission rate of the atoms. The latter can be assigned to the modification of the vacuum modes by the fiber.