Fe、Co、Ni混合团簇磁性的密度泛函研究

基于13原子二十面体结构,采用密度泛函方法系统计算研究了Fe、Co及Ni单质及二元混合团簇的磁性.发现有限温度下团簇磁性随结构畸变的敏感性随Fe、Co、Ni顺序逐渐减弱,同时发现二十面体结构Fe_(13)及Co_(13)均具有不同磁矩的近简并低能态.对FeNi及CoNi混合团簇、其磁矩随组分的变化不存在反常现象,但对于FeCo混合团簇、其磁矩随组分的演化行为存在个别反常现象.我们认为:这种反常现象能够对FeCo非晶合金中的实验观测结果提供一种可能的理论解释.     

Multiple domain dynamics simulated with coupled level sets

We adapt the level-set method to simulate epitaxial growth of thin films on a surface that consists of different reconstruction domains. Both the island boundaries and the boundaries of the reconstruction domains are described by different level-set functions. A formalism of coupled level-set functions that describe entirely different physical properties is introduced, where the velocity of each level-set function is determined by the value of the other level-set functions.     

Wavelet filtering to study mixing in 2D isotropic turbulence

This paper presents the application of coherent vortex simulation (CVS) filtering, based on an orthogonal wavelet decomposition of vorticity, to study mixing in 2D homogeneous isotropic turbulent flows. The Eulerian and Lagrangian dynamics of the flow are studied by comparing the evolution of a passive scalar and of particles advected by the coherent and incoherent velocity fields, respectively. The former is responsible for strong mixing and produces the same anomalous diffusion as the total flow, due to transport by the coherent vortices, while mixing in the latter is much weaker and corresponds to classical diffusion.     

The Coordinate of the Singular Point of Generating Functions of Clusters in the High-Temperature Dynamics of Spin Lattice Systems with Axially Symmetric Interaction

We investigate generating functions for equipped trees composed of double bonds of two sorts on a hypercubic lattice of dimension d with built-in fragments. Rules for constructing these clusters are chosen to ensure the estimate for coefficients of power series in time for the longitudinal and transverse autocorrelation functions of the spin system with axially symmetric interaction. We derive a system of two equations for the tree-generating functions and an equation for the generating functions of chains leading from the root to a fragment in a tree using the Bethe approximation and under the condition that mainly bonds of one sort are taken into account. For the face-centered hypercubic lattice, we find the first terms of the 1/d expansion for the coordinate of the singular point of the generating function in both the anisotropic and the isotropic cases taking fragments in the forms of a triangle from four bonds and a four-fold bound pair into account. The obtained result is written in terms of ratios of lattice sums and is generalized to nuclear spin systems with dipole–dipole interaction. The theoretical value of the singular-point coordinate agrees well with the experimental value calculated from the tail of the absorption spectrum of the nuclear magnetic resonance in a barium fluoride monocrystal.     

Nonintegrability of a Fifth-Order Equation with Integrable Two-Body Dynamics

We consider a fifth-order partial differential equation (PDE) that is a generalization of the integrable Camassa–Holm equation. This fifth-order PDE has exact solutions in terms of an arbitrary number of superposed pulsons with a geodesic Hamiltonian dynamics that is known to be integrable in the two-body case N==2. Numerical simulations show that the pulsons are stable, dominate the initial value problem, and scatter elastically. These characteristics are reminiscent of solitons in integrable systems. But after demonstrating the nonexistence of a suitable Lagrangian or bi-Hamiltonian structure and obtaining negative results from Painlevé analysis and the Wahlquist–Estabrook method, we assert that this fifth-order PDE is not integrable.     

Uniform convexity of ψ-direct sums of Banach spaces

Let X and Y be Banach spaces and ψ a continuous convex function on the unit interval [0,1] satisfying certain conditions. Let X⊕_ψY be the direct sum of X and Y equipped with the associated norm with ψ. We show that X⊕_ψY is uniformly convex if and only if X,Y are uniformly convex and ψ is strictly convex. As a corollary we obtain that the ?_p,q-direct sum (not p=q=1 nor ∞), is uniformly convex if and only if X,Y are, where ?_p,q is the Lorentz sequence space. These results extend the well-known fact for the ?_p-sum . Some other examples are also presented.     

Nonequilibrium Brownian dynamics simulations of shear thinning in concentrated colloidal suspensions

The effect of interparticle forces on shear thinning in concentrated aqueous and nonaqueous colloidal suspensions was studied using nonequilibrium Brownian dynamics. Hydrodynamic interactions among particles were neglected. Systems of 108 particles were studied at volume fractions of 0.2 and 0.4. For the nonaqueous systems, shear thinning could be correlated with the gradual breakup of small flocs present because of the weak, attractive secondary minimum in the interparticle potential. At the highest shear rate for=0.4, the particles were organized into a hexagonally packed array of strings. For the strongly repulsive aqueous systems, the viscosity appeared to be a discontinuous function of the shear rate. For=0.4, this discontinuity coincided with a transition from a disordered state to a lamellar structure for the suspension.     

The vortex dynamics of a Ginzburg-Landau system under pinning effect

It is proved that the vortices of a Ginzburg-Landau system are attracted by impurities or inhomo-geneities in the super-conducting materials. The strong H1-convergence for the system is also studied.     

Winning controllers and regions in competitive nonlinear dynamic games with two qualitative objectives and uncertain information

The Liapunov technique has been introduced in differential games in a sequence of works over the last decade. We discuss application of this technique to the interface between two competitive semi-games, each with different qualitative objective. The feedback information for controllers is provided from designed, analytically integrable state predictors with reduced dynamics, which considerably shortens the computing time. The case is illustrated on the scenario of target reaching before being intercepted, and intercepting before target is reached.Deceased.     

Scattering of a Light Particle by a System of Harmonic Oscillators

We discuss the asymptotic wave function of a quantum system in ?³ composed by heavy and light particles, in the case where the light particles are in scattering states and no interaction is assumed among particles of the same kind. We first review a recent result concerning the case of K heavy and N light particles, where the one-particle potential acting on each heavy particle decays at infinity. Then we consider the case of one light particle interacting with a system of harmonic oscillators and prove the same kind of result following, with some modification, the proof of the previous case. A possible application to the analysis of the scattering of a light particle from condensed matter is also outlined.