Energy Spectra of the Confined Atoms Obtained by Using B-Splines

We have calculated the energy spectra of one- and two-electron atoms (ions) centered in an impenetrable spherical box by variational method with B-splines as basis functions. Accurate results are obtained for both large and small radii of confinement. The critical box radius of confined hydrogen atom is also calculated to show the usefulness of our method. A partial energy degeneracy in confined hydrogen atom is found when the radius of spherical box is equal to the distance at which a node of single-node wavefunctions of free hydrogen atom is located.     

湿颗粒堆力学特性的离散元法模拟研究

利用基于线性黏聚接触模型的离散元法对不同颗粒系统的堆积过程进行了数值模拟研究,分析了颗粒形状和湿颗粒间液桥力对颗粒堆积形态的影响机理,获得了球形和块状湿颗粒堆基底表面所受的法向力以及堆中颗粒间的法向力和切向力"中心凹陷"式的分布规律,讨论了颗粒形状和黏聚能量密度对基底表面作用力和颗粒间作用力的影响.研究结果表明,颗粒形状和液桥力对颗粒堆的堆积形态具有显著的影响.堆积角随着黏聚能量密度的增加而增大,并且相同条件下的块状颗粒堆积角大于球形颗粒.颗粒形状和黏聚能量密度对基底表面所受作用力和堆中颗粒间的作用力变化及最大幅值均有影响作用.当黏聚能量密度值逐渐增大时,颗粒堆的作用力最大幅值均逐渐增大,并且块状颗粒堆的作用力最大幅值大于球形颗粒堆.当黏聚能量密度值过大时,颗粒堆力学特性更加复杂,液桥力对颗粒堆积特性的影响作用大于颗粒形状的影响.     

Modeling of concentrated suspensions

The constitutive equation of a concentrated suspension of spherical particles in a Newtonian medium is derived. To this end the method of local volume averaging is employed. To calculate the contribution of the particles to the stress tensor it is assumed that the stress generated in the interstitial holes between the particles is negligible compared to the stress generated in !he narrow gaps separating the particles. The use of the resulting expression is demonstrated with two examples on a cubical arrangement of particles: pure shear and simple shear. Furthermore, the validity of the lubrication approximation employed in this work is checked against the results derived by Nunan and Keller for periodic suspensions.     

Bohr correspondence principle for large quantum numbers

Periodic systems are considered whose increments in quantum energy grow with quantum number. In the limit of large quantum number, systems are found to give correspondence in form between classical and quantum frequency-energy dependences. Solely passing to large quantum numbers, however, does not guarantee the classical spectrum. For the examples cited, successive quantum frequencies remain separated by the incrementhI ^?1, whereI is independent of quantum number. Frequency correspondence follows in Planck's limit,h → 0. The first example is that of a particle in a cubical box with impenetrable walls. The quantum emission spectrum is found to be uniformly discrete over the whole frequency range. This quality holds in the limitn → ∞. The discrete spectrum due to transitions in the high-quantum-number bound states of a particle in a box with penetrable walls is shown to grow uniformly discrete in the limit that the well becomes infinitely deep. For the infinitely deep spherical well, on the other hand, correspondence is found to be obeyed both in emission and configuration. In all cases studied the classical ensemble gives a continuum of frequencies.     

On the exact mean-field description of continuous quantum systems in equilibrium

The thermodynamic limit of free energy density is investigated for quantum systems of n particles obeying Boltzmann, Fermi and Bose statistics, interacting via spin-independent 2-body bounded separable potentials and confined to a bounded region Λ ? R^v. The technique used exploits the Feynman-Kac theorem in finite volume and the saddle-point method of Tindemans and Capel. It is shown that the limiting free energy density of such systems is equal to that of a system of noninteracting particles subject to a mean field which is equal to the averaged 2-body interaction. The equations for the mean field of n particles obeying Boltzmann, Fermi or Bose statistics represent self-consistent field problems and their forms comply with the well-known theorems on mean occupation numbers of single-particle eigenstates of ideal quantum gases at inverse temperature β.     

States of non-zero density in the chiral invariant gross-neveu model

States describing a non-zero number density of massive particles are investigated in the SU(2) chiral-invariant Gross-Neveu model. It is found that for a fixed positive density, the lowest energy state is color ferromagnetic, with all color spins aligned. For asymptotically large densities, the total energy and density are calculated as functions of the Fermi momentum. These quantities tend toward their counterparts in a non-interacting theory, with logarithmic corrections typical of an asymptotically free system.     

Relaxation of ideal classical particles in a one‐dimensional box

We study the deterministic dynamics of non‐interacting classical gas particles confined to a one‐dimensional box as a pedagogical toy model for the relaxation of the Boltzmann distribution towards equilibrium. Hard container walls alone induce a uniform distribution of the gas particles at large times. For the relaxation of the velocity distribution we model the dynamical walls by independent scatterers. The Markov property guarantees a stationary but not necessarily thermal velocity distribution for the gas particles at large times. We identify the conditions for physical walls where the stationary velocity distribution is the Maxwell distribution. For our numerical simulation we represent the wall particles by independent harmonic oscillators. The corresponding dynamical map for oscillators with a fixed phase (Fermi–Ulam accelerator) is chaotic for mesoscopic box dimensions.     

Numerical accuracy of “equivalent” spherical approximations for computing ensemble-averaged scattering properties of fractal soot aggregates

Numerical accuracy is quantitatively assessed in conjunction with the application of four “equivalent” spherical approximations in the computation of the optical properties of small aggregate soot particles. The approximations are based on equal volume, equal surface area, the radius of gyration, and a collection of independent spheres with the same volume and the same volume-to-projected area ratio as the original nonspherical particle. A diffusion-limited cluster-cluster aggregation algorithm is used to specify the geometries of soot particles. Furthermore, the Generalized Multi-particle Mie (GMM) method is utilized to compute the single-scattering properties of individual soot aggregate particles assumed to be randomly oriented in space. The ensemble-averaged single-scattering properties of the particles are obtained by accounting for the probability distribution functions (PDF) of the number of monomers per aggregate at two wavelengths, 0.628 and 1.1 μm. It is shown that all of the aforementioned equivalent-spherical approximations lead to large errors in the computation of the phase function.     

Sudden chain energy transfer events in vibrated granular media

In a mixture of two species of grains of equal size but different mass, placed in a vertically vibrated shallow box, there is spontaneous segregation. Once the system is at least partly segregated and clusters of the heavy particles have formed, there are sudden peaks of the horizontal kinetic energy of the heavy particles, that is otherwise small. Together with the energy peaks the clusters rapidly expand and the segregation is partially lost. The process repeats once segregation has taken place again, either randomly or with some regularity in time depending on the experimental or numerical parameters. An explanation for these events is provided based on the existence of a fixed point for an isolated particle bouncing with only vertical motion. The horizontal energy peaks occur when the energy stored in the vertical motion is partly transferred into horizontal energy through a chain reaction of collisions between heavy particles.     

Equation of state for agents on graphs

Based on the generalized statistic distribution derived from the Tsallis entropy that has been successfully used in complex systems with long-range interactions and/or long-duration memory, the thermostatistic properties of a q-generalized Fermi system are studied. The total number of particles, internal energy, and heat capacity at constant volume are calculated for two different cases of q1 and q1, respectively, where q is an important parameter to evaluate the nonextensivity of the system. The thermostatistic characteristics of the system are discussed in detail. It is found from the results obtained here that the Fermi energy of such a system is independent of the parameter q and is equal to that of an original ideal Fermi system when q1, while other thermostatistic properties of the system depend closely on the parameter q. For example, when q<1, the chemical potential of the system in certain region of temperature may be larger than the Fermi energy; when q>1, some thermodynamic parameters of the system at low temperatures must be cut off.     

On the Magnetization of a Charged Bose Gas¶in the Canonical Ensemble

Consider a charged Bose gas without self-interactions, confined in a three dimensional cubic box of side L S 1 and subjected to a constant magnetic field B p 0. If the bulk density of particles A and the temperature T are fixed, then define the canonical magnetization as the partial derivative with respect to B of the reduced free energy. Our main result is that it admits thermodynamic limit for all strictly positive A, T and B. It is also proven that the canonical and grand canonical magnetizations (the last one at fixed average density) are equal up to the surface order corrections.     

Temperature dependence of volume and surface symmetry energy coefficients of nuclei

The thermal evolution of the energies and free energies of a set of spherical and near-spherical nuclei spanning the whole periodic table are calculated in the subtracted finite-temperature Thomas–Fermi framework with the zero-range Skyrme-type KDE0 and the finite-range modified Seyler–Blanchard interaction. The calculated energies are subjected to a global fit in the spirit of the liquid-drop model. The extracted parameters in this model reflect the temperature dependence of the volume symmetry and surface symmetry coefficients of finite nuclei, in addition to that of the volume and surface energy coefficients. The temperature dependence of the surface symmetry energy is found to be very substantial whereas that of the volume symmetry energy turns out to be comparatively mild.     

Spectral densities of response functions for the O(3) symmetric Anderson and two channel Kondo models

The O(3) symmetric Anderson model is an example of a system which has a stable low energy marginal Fermi liquid fixed point for a certain choice of parameters. It is also exactly equivalent, in the large U limit, to a localized model which describes the spin degrees of freedom of the linear dispersion two channel Kondo model. We first use an argument based on conformal field theory to establish this precise equivalence with the two channel model. We then use the numerical renormalization group (NRG) approach to calculate both one-electron and two-electron response functions for a range of values of the interaction strength U. We compare the behaviours about the marginal Fermi liquid and Fermi liquid fixed points and interpret the results in terms of a renormalized Majorana fermion picture of the elementary excitations. In the marginal Fermi liquid case the spectral densities of all the Majorana fermion modes display a dependence on the lowest energy scale, and in addition the zero Majorana mode has a delta function contribution. The weight of this delta function is studied as a function of the interaction U and is found to decrease exponentially with U for large U. Using the equivalence with the two channel Kondo model in the large U limit, we deduce the dynamical spin susceptibility of the two channel Kondo model over the full frequency range. We use renormalized perturbation theory to interpret the results and to calculate the coefficient of the ln divergence found in the low frequency behaviour of the T=0 dynamic susceptibility. Received 29 January 1999     

Kawasaki Dynamics with Two Types of Particles: Stable/Metastable Configurations and Communication Heights

This is the second in a series of three papers in which we study a two-dimensional lattice gas consisting of two types of particles subject to Kawasaki dynamics at low temperature in a large finite box with an open boundary. Each pair of particles occupying neighboring sites has a negative binding energy provided their types are different, while each particle has a positive activation energy that depends on its type. There is no binding energy between particles of the same type. At the boundary of the box particles are created and annihilated in a way that represents the presence of an infinite gas reservoir. We start the dynamics from the empty box and are interested in the transition time to the full box. This transition is triggered by a critical droplet appearing somewhere in the box.     

Three-Body Physics in a Finite Volume

Three particles with large two-body scattering lengths display universal properties including a spectrum of three-body bound states called “Efimov trimers”. I calculate the spectrum of three identical bosons inside a finite cubic box below the three-body breakup threshold. The dependence of the spectrum on the box size and the effects of the breakdown of spherical symmetry are investigated using effective field theory. The renormalization of the effective field theory in the finite volume is explicitly verified. The study of the three-nucleon system inside a finite cubic volume provides a tool for the understanding of Lattice QCD results. I study the triton in a finite volume at physical and unphysical pion masses.     

On the modification of the Efimov spectrum in a finite cubic box

Three particles with large scattering length display a universal spectrum of three-body bound states called “Efimov trimers”. We calculate the modification of the Efimov trimers of three identical bosons in a finite cubic box and compute the dependence of their energies on the box size using effective field theory. Previous calculations for positive scattering length that were perturbative in the finite-volume energy shift are extended to arbitrarily large shifts and negative scattering lengths. The renormalization of the effective field theory in the finite volume is explicitly verified. We investigate the effects of partial-wave mixing and study the behavior of shallow trimers near the dimer energy. Moreover, we provide numerical evidence for universal scaling of the finite-volume corrections.     

Phase separation and an upper bound for a generalized superfluid gap for cold fermi fluids in the unitary regime

An upper bound is derived for Delta for a cold dilute fluid of equal amounts of two species of fermion in the unitary limit k(f)a--> infinity (where k(f) is the Fermi momentum, a is the scattering length, and Delta is a pairing energy: the difference in energy per particle between adding to the system a macroscopic number (but infinitesimal fraction) of particles of one species compared to adding equal numbers of both. The bound is delta < or =5/3 [2(2xi)(2/5)-(2xi)] where xi=epsilon/epsilon(FG), delta=2Delta/epsilon(FG); epsilon is the energy per particle and epsilon(FG) is the energy per particle of a noninteracting Fermi gas. If the bound is saturated, then systems with unequal densities of the two species will separate spatially into a superfluid phase with equal numbers of the two species and a normal phase with the excess. If the bound is not saturated, then Delta is the usual superfluid gap. If the superfluid gap exceeds the maximum allowed by the inequality, phase separation occurs.     

Cell model calculations of dynamic drag parameters in packings of spheres

An external flow approach is used to predict the viscous drag due to oscillating flow in an air-filled stack of fixed identical rigid spheres. Analytical expressions for dynamic and direct current (dc) permeability, high-frequency limit of tortuosity, and the characteristic viscous dimension are derived using a cell model with an adjustable cell radius which allows for hydrodynamic interactions between the spherical particles. The resulting theory requires knowledge of two fixed parameters: the volume porosity and the particle radius. The theory also requires a value for the cell radius. Use of the cell radius corresponding to that of the sphere circumscribing a unit cell of a cubic lattice arrangement is proposed. This is found to enable good agreement between predictions of the new theory and both published data and numerical results for simple cubic and random spherical packings.