van der Waals revisited

The van-der-Waals version of the second virial coefficient is not far from being exact if the model parameters are appropriately chosen. It is shown how the van-der-Waals resemblance originates from the interplay of thermal averaging and superposition of scattering phase shift contributions. The derivation of the two parameters from the quantum virial coefficient reveals a fermion-boson symmetry in non-ideal quantum gases. Numerical details are worked out for the Helium quantum gases.     

二维范德瓦尔斯材料

1959年Richard Feynman在其著名的演讲中曾经提出一个问题：当选取最合适的单层来搭建层状结构时,我们可以实现什么？随着近年来对各种家族的单层材料的研究,我们正愈发接近问题的答案,并有望实现Feynman的梦想。     

Six-body van der Waals interactions

We report on the six-body van der Waals interactions within Rydberg atoms. Specifically, we focus on the octahedron case. The results are compared with previous calculations for two to five bodies' interactions. This research is useful for crystal structure in condensed matter physics, such as p-type doping in Silicon or other types of semiconductors. This research is also useful for studying big molecules in chemistry, chemical engineering, and other fields.     

Nonuniform van der Waals theory

The liquid-vapor interface of a confined fluid at the condensation phase transition is studied in a combined hydrostatic/mean-field limit of classical statistical mechanics. Rigorous and numerical results are presented. The limit accounts for strongly repulsive short-range forces in terms of local thermodynamics. Weak attractive longer-range ones, like gravitational or van der Waals forces, contribute a self-consistent mean potential. Although the limit is fluctuationfree, the interface is not a sharp Gibbs interface, but its structure is resolved over the range of the attractive potential. For a fluid of hard balls with –r ^–6 interactions the traditional condensation phase transition with critical point is exhibited in the grand ensemble: A vapor state coexists with a liquid state. Both states are quasiuniform well inside the container, but wall-induced inhomogeneities show up close to the boundary of the container. The condensation phase transition of the grand ensemble bridges a region of negative total compressibility in the canonical ensemble which contains canonically stable proper liquid-vapor interface solutions. Embedded in this region is a new, strictly canonical phase transition between a quasiuniform vapor state and a small droplet with extended vapor atmosphere. This canonical transition, in turn, bridges a region of negative total specific heat in the microanonical ensemble. That region contains subcooled vapor states as well as superheated very small droplets which are microcanonically stable.     

Estimation of van der Waals dipole-quadrupole interactions

A formula has been derived based on a variational approach for the van der Waals dipole-quadrupole interaction coefficient between two atoms or ions. The coefficients for the various ion pairs in the alkali halides have been estimated on the basis of this formula. The results agree quite well with those estimated by Mayer (J. Chem. Phys.1, 270 (1933)) using a perturbation approach. The present formula is shown to have a practical advantage over the perturbation formula.     

MBPT studies of van der Waals molecules

The many-body perturbation theory is employed for the calculation of the interaction potential for the F^- … He system in the framework of the supermolecule method. A particular attention is paid to the choice of the basis set functions for the two subsystems and the related basis set superposition effects. It has been found that the main features of the interaction potential are recovered in the SCF approximation. The SCF potential has its minimum at the distance R = 6·4 a ₀ with the interaction energy of 53 cm^-1. The complete fourth-order MBPT method gives the potential minimum position and depth equal to 6·5 a ₀ and 64 cm^-1, respectively. The basis set superposition effects estimated by using the counterpoise technique are negligibly small for the SCF interaction potential, while at the correlated level their magnitude is comparable to the value of the total correlation contribution to the interaction energy. The basis set superposition effect in calculations of the electron correlation contribution to weak intermolecular interactions is found to be the major factor limiting the reliability of the corresponding theoretical data.     

Diagnostics of mixed van der Waals clusters

We present two complementary techniques that provide detailed diagnostics of supersonic beams involving several species. First, surface scattering, together with quadrupole mass spectrometer detection, yields the monomer percentage for each species within the beam. Second, analyses of beam profiles for different masses after scattering by a buffer gas permit determination of mixed cluster presence and, if any, of cluster sizes and compositions. The two techniques are applied to supersonic expansions of an argon-nitrogen mixture. We discuss the results that provide new insight in binary nucleation processes. Received: 6 October 1997 / Revised: 4 November 1997 / Accepted: 13 November 1997     

Static van der Waals interactions in electrolytes

Using a field-theoretic formalism, we calculate the static contribution to the van der Waals interaction between two dielectric semi-infinite half-spaces in the presence of mobile salt ions. The ions can be located in the slab, in one, or in both half-spaces. We include an excess polarizability of the salt ions, i.e., each (spherical) ion has a dielectric constant which in general is different from the surrounding medium. This leads to a modification of the effective dielectric constant of the medium hosting the ions. This shift can be large for high salt concentrations and therefore influences the Hamaker constant decisively. Salt ions in the slab screen the static van der Waals interaction, as was shown by Davies and Ninham. The salt-modified van der Waals interaction also contains salt-confinement and salt-correlation effects. This is clearly demonstrated by the fact that the interaction is non-zero even in the case when the dielectric constant is homogeneous throughout the system, in which case salt correlations are solely responsible for the interaction. If the salt ions are in one or both of the two half-spaces (and no ions in the slab), the van der Waals interaction is not screened but the effective Hamaker constant approaches a universal value for large slab thickness which is different from the value in the absence of salt ions and which is independent of the salt concentration and of the effective electrolyte dielectric constant. If both half-spaces contain salt, the asymptotic value of the Hamaker constant for large separation between the half-spaces is the one obtained for the interaction between two metallic half-spaces through an arbitrary dielectric medium, which is given by A≃ - 1.20. As is explicitly demonstrated, ion enrichment or depletion at the interfaces due to image-charge effects is already included on the one-loop level and therefore does not lead to a change of the screened van der Waals interaction as given by Davies and Ninham. For positive and negative ions with different valencies or different excess polarizabilities, we obtain different adsorbed surface excesses of positive and negative ions, leading to a non-vanishing surface potential, which is computed explicitly. All of these results are obtained on the linear one-loop level. For a special case we extend the calculation of the dispersion interaction to the two-loop level. We find the corrections to the one-loop results to be quite large for high salt concentrations or multivalent ions. Received 17 February 2000     

Single-photon emitters in van der Waals materials

Solid-state sources of single-photon emitters are highly desired for scalable quantum photonic applications, such as quantum communication, optical quantum information processing, and metrology. In the past year, great strides have been made in the characterization of single defects in wide-bandgap materials, such as silicon carbide and diamond, as well as single molecules, quantum dots, and carbon nanotubes. More recently, single-photon emitters in layered van der Waals materials attracted tremendous attention, because the two-dimensional(2 D)lattice allows for high photon extraction efficiency and easy integration into photonic circuits. In this review, we discuss recent advances in mastering single-photon emitters in 2 D materials, electrical generation pathways,detuning, and resonator coupling towards use as quantum light sources. Finally, we discuss the remaining challenges and the outlooks for layered material-based quantum photonic sources.     

双分子反应中的范德华作用

本文综述了近年来双分子反应中范德华作用的理论和实验研究进展.对于直接的活化反应和形成络合物的反应中范德华力对动力学的显著影响深化了人们的认识的研究工作进行了回顾,并进一步讨论了涉及更多原子的反应以及在低温和超低温条件下的反应.无论是对于从头算还是势能面拟合而言,准确描述势能面的范德华区域的结构以及长程势仍是当前挑战性的工作.此外,本文还对最近提出的"范德华鞍"的概念作了阐明,该概念可能具有一般的意义.     

Non-Analyticity and the van der Waals Limit

We study the analyticity properties of the free energy f _γ (m) of the Kac model at points of first order phase transition, in the van der Waals limit γ↘0. We show that there exists an inverse temperature β ₀ and γ ₀>0 such that for all β≥β ₀ and for all γ∈(0,γ ₀), f _γ (m) has no analytic continuation along the path m↘m ^* (m ^* denotes spontaneous magnetization). The proof consists in studying high order derivatives of the pressure p _γ (h), which is related to the free energy f _γ (m) by a Legendre transform.     

Oriented dynamics in van der Waals complexes

The effects of relative orientation on collision and reaction dynamics can be examined by characterizing the unimolecular decay of van der Waals complexes. Most commonly, decomposition is initiated by exciting one of the monomers within a complex, and the relative orientation is defined by the zero-point motions for the intermolecular degrees of freedom. However, if simultaneous excitation of the intermolecular degrees of freedom is achieved, a considerable range of starting configurations may be accessed. We are currently studying I₂-Rg and CN-H₂/D₂ complexes with the goal of using these systems to examine oriented dynamics. For I₂(B)-Ne we have observed excited intermolecular vibrations and the effects of these motions on the predissociation dynamics. The correlation between structure and dynamics suggested by these results can be understood using classical mechanics, but the implications of this model are at variance with accepted ideas about the topology of I₂(B)-Rg potential surfaces. Spectroscopic and theoretical studies of CN-H₂/D₂ indicate that this pre-reactive complex may be used to examine steric effects in the H₂+CN→H+HCN reaction. The complex was characterized using the A-X and B-X electronic transitions. As is often the case for weakly bound systems, the insights provided by high-level theoretical calculations were essential for interpretation of the spectra. The properties of excited intermolecular vibrations of CN-H₂ were predicted as a prelude to studies of the intra-cluster reaction dynamics.     

范德华尔斯材料在转角光学中的研究进展

极化激元是光与不同极化子相互作用形成的半光半物质的准粒子,可用于亚波长尺度的光场调控,在光学成像、非线性效应增强及新型超构材料设计等领域扮演着举足重轻的角色.近年来,随着人们对转角范德华尔斯材料体系的制备工艺和物性研究的不断深入,其中许多新奇的极化激元现象也被揭示.本文综述了近年来转角范德华尔斯材料在光学领域的研究进展...     

Dynamical van der Waals Model of Glassy Behavior

A model fluid system whose intermolecular forces consist of the short range part characterizing usual stable fluid and the long range part of Kac-type is considered. When the ratio of the force ranges is large enough, the system can be described by regarding the system having only short range interactions as a reference fluid treated as a continuum, on which long range forces acting among tiny fluid elements are superimposed. We discuss the glassy behavior of this model relating it to the mode coupling theory and using real replica theory. These theories lead to the two equations for non-ergodicity parameter which are totally different from each other. We argue that our model can be a basis for examining nature of the drastic approximations entering derivations of the mode coupling equations. We further explore the possibility of developing the dynamical real replica approach for our model system with the hope of providing a framework to cope with different time scales characterizing complex glassy behavior.     

Nonclassical behavior of the van der Waals gas

The partition function of the van der Waals gas is represented by a functional integral which is evaluated by summing the value of the integrand over its absolute and all of its secondary maxima. This leads to a one-to-one correspondence with the Ising model with nearest-neighbor interactions only. Whereas the classical behavior of the van der Waals gas is due to the absolute maximum in function space, the nonclassical behavior is shown to derive from the combined contribution of all the secondary maxima. The relation of this work to inverse range expansions and to the droplet model of condensation is discussed.     

The macroscopic theory of van der Waals attraction

The van der Waals energy between two films is calculated from the average quantum energy of the electromagnetic radiation field. All branch points and different Riemann surfaces appearing in earlier treatments vanish by applying finite boundary conditions. The final frequency integration runs over the full imaginary axis.