Comparison study of exchange-correlation functionals on prediction of ground states and structural properties

Despite significant advances in first-principles calculation methods, there is no single exchange-correlation functional which predicts the ground state of materials without an error yet. We investigated how accurately ground states of binary semiconductors are described using 16 exchange-correlation functionals (with or without van der Waals corrections). LDA, PBEsol, SCAN (with or without rVV10 correction), and PBE with D3 van der Waals correction (zero or Becke-Johnson damping) show good predicting power. The lattice constants of stable phases were slightly better described by SCAN, PBEsol, PBE+D3 (Becke-Johnson damping), and MS2. We also propose a set of functionals to double-check the stability of new materials based on the majority vote.     

A semi-analytical numerical method for time-dependent radiative transfer problems in slab geometry with coherent isotropic scattering

We describe a semi-analytical numerical method for coherent isotropic scattering time-dependent radiative transfer problems in slab geometry. This numerical method is based on a combination of two classes of numerical methods: the spectral methods and the Laplace transform (LTS_N) methods applied to the radiative transfer equation in the discrete ordinates (S_N) formulation. The basic idea is to use the essence of the spectral methods and expand the intensity of radiation in a truncated series of Laguerre polynomials in the time variable and then solve recursively the resulting set of “time-independent” S_N problems by using the LTS_N method. We show some numerical experiments for a typical model problem.     

(Anti-)de Sitter Black Hole Entropy and Generalized Uncertainty Principle

We generalize the method that is used to study corrections to Cardy-Verlinde formula due to generalized uncertainty principle and discuss corrections to Cardy-Verlinde formula due to generalized uncertainty principle in (anti)-de Sitter space. Because in de Sitter black hole spacetime the radiation temperature of the black hole horizon is different from the one of the cosmological horizon, this spacetime is a thermodynamical non-equilibrium spacetime.     

Three-dimensional radiative transfer in an anisotropically scattering, semi-infinite medium: generalized reflection function

Three-dimensional radiative transfer in an anisotropic scattering medium exposed to spatially varying, collimated radiation is studied. The generalized reflection function for a semi-infinite medium with a very general scattering phase function is the focus of this investigation. An integral transform is used to reduce the three-dimensional transport equation to a one-dimensional form, and a modified Ambarzumian's method is applied to formulate a nonlinear integral equation for the generalized reflection function. The integration is over both the polar and azimuthal angles; hence, the integral equation is said to be in the double-integral form. The double-integral, reflection function formulation can handle a variety of anisotropic phase functions and does not require an expansion of the phase function in a Legendre polynomial series. Complicated kernel transformations of previous single-integral studies are eliminated. Single and double scattering approximations are developed. Numerical results are presented for a Rayleigh phase function to illustrate the computational characteristics of the method and are compared to results obtained with the single-integral method. Agreement between the two approaches is excellent; however, as the transform variable increases beyond five the number of quadrature points required for the double-integral method to produce accurate solutions significantly increases. A new interpolation scheme produces accurate results when the transform variable is large.     

掺钕聚甲基丙烯酸甲酯的光学特性

研究了制备的掺钕螯合物Nd(DBM)3Phen材料的吸收光谱、激发光谱、荧光光谱,应用Judd-Ofelt理论计算了该材料的强度参量．分析了钕离子激发态4F3／2的辐射寿命(631 μs)和4F3／2→4IJ′跃迁的受激发射截面和荧光分支比．     

Results from GRACE/SUSY at one-loop

We report the recent development on the SUSY calculations with the help of GRACE system. GRACE/SUSY/1LOOP is the computer code which can generate Feynman diagrams in the MSSM automatically and compute one-loop amplitudes in the numerical way. We present new results of various two-body decay widths and chargino pair production at ILC (international linear collider) at one-loop level.      

The method of lines solution of discrete ordinates method for radiative heat transfer in cylindrical enclosures

A radiation code based on method of lines solution of discrete ordinates method for radiative heat transfer in axisymmetric cylindrical enclosures containing absorbing-emitting medium was developed and tested for predictive accuracy by applying it to (i) test problems with black and grey walls (ii) a gas turbine combustor simulator enclosing a non-homogeneous absorbing-emitting medium and benchmarking its steady-state predictions against exact solutions and measurements. Comparisons show that it provides accurate solutions for radiative heat fluxes and can be used with confidence in conjunction with CFD codes based on the same approach.     

BEPCⅡ LINAC束流光学匹配及轨道校正计算研究

 北京正负电子对撞机直线注入器(BEPCⅡ LINAC)的升级改进要求建立束流光学匹配计算和轨道校正系统，为此对束流光学匹配计算和轨道校正计算的方法进行了研究，并采用VC++语言编写了相应的程序，利用最小二乘法原理进行了束流光学匹配计算，模拟了束流轨道校正，取得了较为理想的结果。     

全景图像几何畸变校正的算法研究及其软件实现

对于360°视场的全景图像,本文提出了分别对其进行切向和径向畸变校正的处理算法,并用插值处理提高处理精度。达到了将全景图像恢复为常规视场平面像的目的。它是进一步图像分析的前期工作。