Simulation of two dimensional systems with two dimensional electrostatics

Some of the problems associated with Monte Carlo and molecular dynamics simulations of three dimensional ionic and dipolar systems are discussed, with emphasis on the use of periodic boundary conditions (PBC). It is shown that analogous problems may arise in two dimensional systems provided that the interactions are two dimensional electrostatic interactions, that is, interactions derived from the two dimensional Laplace equation. The PBC hamiltonian is evaluated by considering the appropriate two dimensional lattice sums, and a computable form for the effective pair interactions in PBC developed. The idea of an external dielectric constant is introduced and its effects included in the PBC hamiltonian. Formulae for evaluating the dielectric constant from a simulation with any external dielectric constant are given. Perturbation formulae showing the effects on the structure and mean square dipole moment of a dipolar system which are caused by a change in external dielectric constant are derived. A formula for the shift in mean square dipole moment of an ionic system is also developed. The problem of interpreting results from such simulations is discussed briefly.     

二维简谐势阱中旋转理想玻色气体热力学性质的修正

利用截断求和方法修正了二维简谐势阱中旋转理想玻色气体的热力学性质.对玻色-爱因斯坦凝聚(BEC)临界温度的修正表明:旋转框架下的BEC临界温度随旋转频率增大而快速趋近于零,到达势阱特征频率时,基态将会发生从BEC态到强关联非凝聚态的转变;由合成磁场引起的旋转对BEC临界温度的影响则要弱得多.对旋转导致的抗磁性的修正表明:磁化强度随旋转频率和合成磁场的增大而增强.利用截断求和方法计算的结果与考虑有限尺度效应的修正结果获得了很好的一致.     

Polaritons in confined systems

Polaritons in confined systems are introduced and their dispersion is calculated. The amount of squeezing of confined excitons-polaritons in GaAs quantum wells is evaluated.     

The quasi-exactly solvable problems for two dimensional quantum systems

In this paper, we study the quasi-exactly solvable problems for two dimensional quantum systems. By using the Bethe ansatz method, we obtain the general form of the quasi-exactly solvable potential. Then, we present several examples to give the specific forms of quasi-exactly solvable potentials. In the examples, some physical models of quasi-exactly solvable problems are re-exhibited.     

Dynamical method for studying localization-delocalization transition in two dimensional percolating systems

We study quantum percolation which is described by a tight-binding Hamiltonian containing only off-diagonal hopping terms that are generally in quenched binary disorder (zero or one). In such a system, transmission of a quantum particle is determined by the disorder and interference effects, leading to interesting sharp features in conductance as the energy, disorder, and boundary conditions are varied. To aid understanding of this phenomenon, we develop a visualization method whereby the progression of a wave packet entering the cluster through a lead on one side and exiting from another lead on the other side can be tracked dynamically. Using this method, we investigate the localization-delocalization transition in a 2D system for various boundary conditions. Our results indicate the existence of two different kinds of localized regimes, namely exponential and power law localization, depending on the amount of disorder. Our study further suggests that there may be a delocalized state in the 2D quantum percolation system at very low disorder. These results are based on a finite size scaling analysis of the systems of size up to 70 × 70 (containing 4900 sites) on the square lattice.     

The distribution of equilibrium magnetization currents in systems with dimensional quantization in a finite magnetic field

The distribution of equilibrium magnetization currents in two-dimensional bounded systems placed in an external magnetic field is studied. A half-plane, a quantum disk, and a wide quantum ring are considered. The passage from classical to quantizing magnetic fields is investigated. The edge currents near the boundary of the half-plane are shown to experience damped (far from the boundaries) spatial oscillations related to the Fermi electron wavelength. The region occupied by currents was found to narrow with increasing field. Apart from these oscillations, the current contains a component that smoothly changes with distance but oscillationally depends on the position of the Fermi level relative to the Landau levels. The suppression of the oscillations by temperature is studied. The spatial distribution of the current in a circular disk and a ring is shown to significantly depend on the position of the Fermi level.     

Incommensurate diffusion in confined systems

Molecular simulations corroborate the existence of the disputed window effect, i.e., an increase in diffusion rate by orders of magnitude when the alkane chain length increases so that the shape of the alkane is no longer commensurate with that of a zeolite cage. This window effect is shown to be characteristic for molecular sieves with pore openings that approach the diameter of the adsorbate. Furthermore, the physical compatibility between the adsorbate and the adsorbent has a direct effect on the heat of adsorption, the Henry coefficients, the activation energy, and the frequency factors.     

On the symmetry of the Gibbs states in two dimensional lattice systems

Under fairly general conditions if a two dimensional classical lattice system has an internal symmetry groupG, which is a compact connected Lie group, then all Gibbs states areG-invariant.     

Labyrinth patterns in confined granular-fluid systems

A random, labyrinthine pattern emerges during slow drainage of a granular-fluid system in two-dimensional confinement. Compacted grains are pushed ahead of the fluid-air interface, which becomes unstable due to a competition between capillary forces and the frictional stress mobilized by grain-grain contact networks. We reproduce the pattern formation process in numerical simulations and present an analytical treatment that predicts the characteristic length scale of the labyrinth structure. The pattern length scale decreases with increasing volume fraction of grains in the system and increases with the system thickness.     

Weak currents in Fermi systems

In the framework of a relativistic field theory for the many-body system we use the hypothesis of a partially-conserved axial-vector current to relate weak-interaction coupling constants to strong-interaction parameters. The density-dependent renormalizations of weak-interaction coupling constants are investigated using the Ward-Takahashi identities of the σ-model. We compare the renormalization procedures for the vector current and for the axial-vector current and generally discuss differences between renormalizations at zero density and in the medium.     

Electromodulation spectroscopy of confined systems

The convolution formalism of Aspnes and Rowe for the dielectric function in the presence of an electric field is applied to electromodulation spectroscopy of confined systems. It is shown that for isolated confined systems where excitonic effects are not important, electromodulation spectroscopy leads to first derivative like optical features of two dimensional critical points. For superlattices in weak fields (neglecting excitonic interactions), the familiar third derivative forms of Aspnes and Rowe are applicable. In contrast, when moderate and high electric fields are applied to superlattices, electromodulation spectroscopy will exhibit optical features characteristic of first derivative line shapes. This phenomenon arises because the electric field causes the envelope functions of the electron and hole states to become spatially localized. The importance of excitons and their inhomogeneous broadening to the experimentally observed line shapes are considered.     

Electron correlation energy in confined two-electron systems

Radial, angular and total correlation energies are calculated for four two-electron systems with atomic numbers Z=0-3 confined within an impenetrable sphere of radius R. We report accurate results for the non-relativistic, restricted Hartree-Fock and radial limit energies over a range of confinement radii from 0.05-10a₀. At small R, the correlation energies approach limiting values that are independent of Z while at intermediate R, systems with Z?1 exhibit a characteristic maximum in the correlation energy resulting from an increase in the angular correlation energy which is offset by a decrease in the radial correlation energy.     

Four dimensional realization of two dimensional current groups

The quotient realization of the central extensions of the current groups over Riemann surfaces is achieved by means of the Leray residue theory. This approach replaces de Rham cohomology in the classical WZNW construction for affine Lie groups.     

Spontaneous breakdown in two dimensional space-time

We prove that in two-dimensional space-time, symmetry transformations which are generated by Poincaré covariant currents can not be spontaneously broken. This is also the case with the dilation current. We argue that other currents which involve explicit space-time dependence might lead to spontaneously broken symmetries accompanied by massless Goldstone bosons. We construct a trivial example where this phenomenon occurs.     

Transport in two dimensional electronic micro-emulsions

In two dimensional electron systems with Coulomb or dipolar interactions, a direct transition, whether first or second order, from a liquid to a crystalline state is forbidden. As a result, between these phases there must be other (micro-emulsion) phases which can be viewed as a meso-scale mixture of the liquid and crystalline phases. We investigate the transport properties of these new electronic phases and present arguments that they are responsible for the various transport anomalies that have been seen in experiments on the strongly correlated 2DEG in high mobility semiconductor devices with low electron densities.     

Stress induced topological fluctuations in confined lamellar systems

We investigate the role of defects in a model order-disorder transition, the lamellar-microemulsion transition. We focus on the effect of an applied external stress on the transition mechanism. We first analyse the thermodynamical consistency of the usual Landau-Ginzburg modelling of these systems, and show that thermodynamical, mechanical and structural quantities can all be probed at the same time, which allows for a deeper understanding of the transition mechanisms. We apply this formalism to the case of a lamellar system confined between two plates, the model geometry for a surface force apparatus.     

Suppression of quantum scattering in strongly confined systems

We demonstrate that scattering of particles strongly interacting in three dimensions (3D) can be suppressed at low energies in a quasi-one-dimensional (1D) confinement. The underlying mechanism is the interference of the s- and p-wave scattering contributions with large s- and p-wave 3D scattering lengths being a necessary prerequisite. This low-dimensional quantum scattering effect might be useful in "interacting" quasi-1D ultracold atomic gases, guided atom interferometry, and impurity scattering in strongly confined quantum wire-based electronic devices.     

Onset of diffusive behavior in confined transport systems

We investigate the onset of diffusive behavior in polygonal channels for disks of finite size, modeling simple microporous membranes. It is well established that the point-particle case displays anomalous transport, because of slow correlation decay in the absence of defocusing collisions. We investigate which features of point-particle transport survive in the case of finite-sized particles (which undergo defocusing collisions). A similar question was investigated by Lansel, Porter, and Bunimovich [Chaos 16, 013129 (2006)], who found that certain integrals of motion and multiple ergodic components, characteristic of the point-particle case, remain in "mushroom"-like systems with few finite-sized particles. We quantify the time scales over which the transport of disks shows features typical of the point particles, or is driven toward diffusive behavior. In particular, we find that interparticle collisions drive the system toward diffusive behavior more strongly than defocusing boundary collisions. We illustrate how, and at what stage, typical thermodynamic behavior (consistent with kinetic theory) is observed, as particle numbers grow and mean free paths diminish. These results have both applied (e.g., nanotechnological) and theoretical interest.