2-（1,3-Diphenylpropen-1,3-diolato）-1,3,2-（5-formylbenzo）dioxaborol： A ＇Whole-molecule Disorder＇ Crystal Structure

The boron atom in C22H15BO5 is O,O’-chelated by the anions in a tetrahedral geometry, with the planar five-and six-membered chelate rings being orthogonal to each other. The molecule lies on a two-fold rotation axis. The molecule is disordered with respect to another molecule in a 93:7 ratio; the treatment of the ‘whole-molecule disorder’ by employing a large number of restraints is described. Crystal data: C22H15BO5, monoclinic C2/c, a = 17.1804(5), b = 12.9409(4), c = 9.8842(3) , β = 124.832(2)o, V = 1803.82(9) 3 at –173 K.     

Modelling diffraction patterns from one‐dimensionally disordered structures of AIIBVI crystals by Monte Carlo Technique IV. The 6H structure with different kinds of stacking faults

To investigate the one‐dimensionally disordered structures (ODDS) in the close packed (cp) crystals, the Monte Carlo computer simulation technique has been applied. Calculations of the diffraction intensity distributions along the 10.L reciprocal lattice row from the 6H(33) structure with the four different kinds of the stacking faults (SFs): growth, deformation, layer displacement and extrinsic fault are presented. In particular, using the simple frequency functions of the fault to fault distances, both random and non‐random distributions of the SFs are considered. Distinctive features of the diffraction patterns corresponding to the chosen examples of the transformations from the parent 6H(33) structure into another small‐period polytypes are discussed in detail. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Quantum annealing of the graph coloring problem

Quantum annealing extends simulated annealing by introducing artificial quantum fluctuations. The path-integral Monte Carlo version chosen is population-based and designed to be implemented on a classical computer. Its first application to the graph coloring problem is presented in this paper. It is shown by experiments that quantum annealing can outperform classical thermal simulated annealing for this particular problem. Moreover, quantum annealing proved competitive when compared with the best algorithms on most of the difficult instances from the DIMACS benchmarks. The quantum annealing algorithm has even found that the well-known benchmark graph dsjc1000.9 has a chromatic number of at most 222. This is an improvement on its best upper-bound from a large body of literature.     

高师院校复变函数课程教学改革的探索

结合多年的教学实践和高师院校的特点,分析了复变函数课程教学中存在的问题,并提出了一些教学改革设想,如改革课程内容,进行教材建设,渗透数学文化,加强网络教学等,期望能为该课程的教学改革抛砖引玉.     

一类具幂零奇点的五次系统中心条件及极限环分支

In this paper, center conditions and bifurcation of limit cycles at the nilpotent critical point in a class of quintic polynomial differential system are investigated. With the help of computer algebra system MATHEMATICA, the first 8 quasi Lyapunov constants are deduced. As a result, the necessary and sufficient conditions to have a center are obtained. The fact that there exist 8 small amplitude limit cycles created from the three-order nilpotent critical point is also proved. Henceforth we give a lower bound of cyclicity of three-order nilpotent critical point for quintic Lyapunov systems.     

具线性退化特征场对角型方程组Goursat问题的奇性形成机制

For an inhomogeneous quasilinear hyperbolic system of diagonal form, under the assumptions that the system is linearly degenerate and the C^1 norm of the boundary data is bounded, we show that the mechanism of the formation of singularities of C^1 classical solution to the Goursat problem with C^1 compatibility conditions at the origin must be an ODE type. The similar result is also obtained for the weakly discontinuous solution with C^0 compatibility conditions at the origin.     

Comparison of the generalized Riemann solver and the gas-kinetic scheme for inviscid compressible flow simulations

The generalized Riemann problem (GRP) scheme for the Euler equations and gas-kinetic scheme (GKS) for the Boltzmann equation are two high resolution shock capturing schemes for fluid simulations. The difference is that one is based on the characteristics of the inviscid Euler equations and their wave interactions, and the other is based on the particle transport and collisions. The similarity between them is that both methods can use identical MUSCL-type initial reconstructions around a cell interface, and the spatial slopes on both sides of a cell interface involve in the gas evolution process and the construction of a time-dependent flux function. Although both methods have been applied successfully to the inviscid compressible flow computations, their performances have never been compared. Since both methods use the same initial reconstruction, any difference is solely coming from different underlying mechanism in their flux evaluation. Therefore, such a comparison is important to help us to understand the correspondence between physical modeling and numerical performances. Since GRP is so faithfully solving the inviscid Euler equations, the comparison can be also used to show the validity of solving the Euler equations itself. The numerical comparison shows that the GRP exhibits a slightly better computational efficiency, and has comparable accuracy with GKS for the Euler solutions in 1D case, but the GKS is more robust than GRP. For the 2D high Mach number flow simulations, the GKS is absent from the shock instability and converges to the steady state solutions faster than the GRP. The GRP has carbuncle phenomena, likes a cloud hanging over exact Riemann solvers. The GRP and GKS use different physical processes to describe the flow motion starting from a discontinuity. One is based on the assumption of equilibrium state with infinite number of particle collisions, and the other starts from the non-equilibrium free transport process to evolve into an equilibrium one through particle collisions. The different mechanism in the flux evaluation deviates their numerical performance. Through this study, we may conclude scientifically that it may NOT be valid to use the Euler equations as governing equations to construct numerical fluxes in a discretized space with limited cell resolution. To adapt the Navier–Stokes (NS) equations is NOT valid either because the NS equations describe the flow behavior on the hydrodynamic scale and have no any corresponding physics starting from a discontinuity. This fact alludes to the consistency of the Euler and Navier–Stokes equations with the continuum assumption and the necessity of a direct modeling of the physical process in the discretized space in the construction of numerical scheme when modeling very high Mach number flows. The development of numerical algorithm is similar to the modeling process in deriving the governing equations, but the control volume here cannot be shrunk to zero.     

A nonlinear PDE model for reconstructing a regular surface from sampled data using a level set formulation on triangular meshes

In this paper, we propose a nonlinear PDE model for reconstructing a regular surface from sampled data. At first, we show the existence and the uniqueness of a viscosity solution to this problem. Then we propose a numerical scheme for solving the nonlinear level set equation on unstructured triangulations adapted to the data sample. We show the consistency of this scheme. In addition, we show how to compute nodewise first and second order derivatives. Some application examples of curve or surface construction are provided to illustrate the potential and to demonstrate the accuracy of this method.     

A completely iterative method for the infinite domain electrostatic problem with nonlinear dielectric media

We present an iterative method for the solution of the exterior all-space electrostatic problem for nonlinear dielectric media. The electric potential is specified on interior boundaries and the electric field decays at infinity. Our approach uses a natural variational formulation based on the total energy of the nonlinear dielectric medium subject to boundary conditions. The problem is decomposed into an exterior calculation and an interior calculation with the boundary-specified electric potentials imposed as constraints between them. Together, these enable an iterative method that is based on the variational formulation. In contrast to direct solution of the electrostatic problems, we avoid the construction, storage and solution of dense and large linear systems. This provides important advantages for multiphysics problems that couple the linear electrostatic Poisson problem to nonlinear physics: the latter necessarily involves iterative approaches, and our approach replaces a large number of direct solves for the electrostatics with an iterative algorithm that can be coupled to the iterations of the nonlinear problem. We present examples applying the method to inhomogeneous, anisotropic nonlinear dielectrics. A key advantage of our variational formulation is that we require only the free-space, isotropic, homogeneous Greens function for all these settings.