An angular singularity-free method for the dynamics of the rovibrational motion of diatomic molecules

An angular singularity-free method for the dynamics of the rovibrational motion of diatomic molecules has been proposed. The present method is based on a formulation that the orientation of a diatomic molecule is expressed by the Cartesian coordinates of the unit vector parallel to the molecular axis. In this light, the present method can be considered as a modification of a method proposed for the rigid rotational motion to the rovibrational motion. Illustrations of the present method have been performed for the classical dynamics of the rovibrational motion of a diatomic molecule, and for the semiclassical dynamics of the collision between an atom and a diatomic molecule, including comparisons with other conventional methods. It is concluded that the present method is free from angular singularity, and that the present method is superior to other conventional methods in view of computational efficiency.     

泄漏波导法精确测量薄膜参数的理论和实验研究

对泄漏波导法测量薄膜折射率和厚度的实验方法做了介绍,基于四层介质结构的理论模型,通过严格的电磁场理论推导出了测量方法依据的本征色散方程,并使用了Newton-Raphson方法求解复传播常数,保证了测量的精确与快捷.以等离子增强化学气相沉积法生长的SiO2薄膜为例,对其折射率和厚度进行了测定.实验证明,本文方法与传统方法相比,不仅具有更高的测量精度,而且数据处理更加快捷,完成一片样品测试,仅花费机时60 ms.     

基于插值的全矢量有限差分法求解阶跃光波导本征模式

给出了一种适合求解阶跃折射率分布光波导本征模式的全矢量有限差分法.该方法充分考虑了电场分量在折射率分布跃变处的不连续性, 在拉格朗日插值的基础上得到了一种精度较高的差分格式.为了验证其有效性,对一种典型结构、折射率阶跃分布的波导作了计算,并与其它方法的结果作了比较.最后对不理想刻蚀情况做了模拟计算.     

SVD–GFD scheme to simulate complex moving body problems in 3D space

The present paper presents a hybrid meshfree-and-Cartesian grid method for simulating moving body incompressible viscous flow problems in 3D space. The method combines the merits of cost-efficient and accurate conventional finite difference approximations on Cartesian grids with the geometric freedom of generalized finite difference (GFD) approximations on meshfree grids. Error minimization in GFD is carried out by singular value decomposition (SVD). The Arbitrary Lagrangian–Eulerian (ALE) form of the Navier–Stokes equations on convecting nodes is integrated by a fractional-step projection method. The present hybrid grid method employs a relatively simple mode of nodal administration. Nevertheless, it has the geometrical flexibility of unstructured mesh-based finite-volume and finite element methods. Boundary conditions are precisely implemented on boundary nodes without interpolation. The present scheme is validated by a moving patch consistency test as well as against published results for 3D moving body problems. Finally, the method is applied on low-Reynolds number flapping wing applications, where large boundary motions are involved. The present study demonstrates the potential of the present hybrid meshfree-and-Cartesian grid scheme for solving complex moving body problems in 3D.     

一种适用于任意折射率分布的等效折射率方法

提出了一种新的等效折射率方法,可以将光波导的两维折射率分布精确等效成一维折射率分布。从波动方程出发,通过严格的数学推导,得到了一维等效折射率分布的表达式。该等效折射率分布由二维光波导的模场分布和折射率分布决定。在此等效过程中,几乎无任何近似,因此具有比传统等效折射率方法(EIM)更高的精度,而且不受波导截止条件的限制,并适用于任意的折射率分布结构。以SOI(silicon-on-insulator)脊型光波导为例,给出新方法的一个具体等效实施过程,比较了新方法与传统等效折射率方法计算得到的等效模场分布及等效折射率,结果显示本文方法的有更高的计算精度。最后,文中给出了一个利用这种等效方法计算弯曲波导损耗的例子。新方法可以使对三维结构(截面为任意折射率分布)的模拟简化成二维模拟。     

Characterization of discontinuities in high-dimensional stochastic problems on adaptive sparse grids

In this paper we present a set of efficient algorithms for detection and identification of discontinuities in high dimensional space. The method is based on extension of polynomial annihilation for discontinuity detection in low dimensions. Compared to the earlier work, the present method poses significant improvements for high dimensional problems. The core of the algorithms relies on adaptive refinement of sparse grids. It is demonstrated that in the commonly encountered cases where a discontinuity resides on a small subset of the dimensions, the present method becomes “optimal”, in the sense that the total number of points required for function evaluations depends linearly on the dimensionality of the space. The details of the algorithms will be presented and various numerical examples are utilized to demonstrate the efficacy of the method.     

Complex refractive index of turbid liquids

We present a multifunction spectrophotometer for the measurement of light reflection from thick and transmission from very thin turbid liquid samples. Moreover, we present a method to get the complex refractive index of such turbid liquids. As an example of the high performance of the device and the method, we present data on inks that are used in offset printing.     

Demonstration of systematic photonic crystal device design and optimization by low-rank adjustments: an extremely compact mode separator

We present a powerful design and optimization method for devices in a photonic crystal. The method is based on a Wannier basis field expansion and efficient matrix analysis techniques for searching through a vast number of designs. The method permits the design of many compact optical devices with complex and novel functions. We present a design example of a very compact mode separator that is 8.2 microm x 13.3 microm in size that demultiplexes the three modes of an input photonic crystal multimode waveguide into three single-mode output waveguides. We verify the method with finite-difference time-domain calculations.     

A new approach for controlling chaotic dynamical systems

The chaos control method proposed by Ott and his coworkers and now called the OGY method has attracted much attention. However, in some applications this technique requires a very long time until the control applies and it is not so effective. In this Letter, we present a new chaos control method in which this problem is improved. The main difference from the OGY method is the use of nonlinear approximations for chaotic dynamical systems and stable manifolds of the target points. We give an example for the Hénon map to demonstrate the effectiveness of the present method. Our method is also shown to be robust to modeling errors like the OGY method.     

检测柱透镜象差的全息干涉法

本文提出一种检测柱透镜象差的全息干涉法。文中详细介绍了全息干涉法的原理,具体实验以及有关调整问题。整个过程操作方便,光路按排简单。     

Refined multiload method for measuring acoustical source characteristics of an intake or exhaust system

The one-port source characteristics in a duct system, viz., source impedance and strength, can be determined by using the four-load method. In this paper, to avoid the instability problem of the conventional four-load method, a new formulation for the multiload method has been proposed, which employs an error function based on the linear, time-invariant source model. It is shown that the method is less sensitive to input errors compared to the previous methods. For a 10% input error, the proposed method yields a relative error in the source resistance that is about 1/100 times smaller than for the conventional method. The effectiveness of the present method is demonstrated by two test examples, a loudspeaker and a blower, each operating in a duct. It is observed that the conventional and least-squares methods result in large errors, whereas the present method yields far better agreement with the actual source parameters, as measured by the direct method. The present method is then used to obtain the source parameters on the exhaust side of an operating internal combustion engine. The radiated sound spectrum from the exhaust opening is predicted by using the measured source parameters and the calculated result agrees very well with the measured one.     

一维瞬态辐射传输的有限元法模拟

随着超短脉冲激光的快速发展,吸收散射性介质内的瞬态辐射传输引起了人们的广泛关注.本文基于离散坐标法和最小二乘有限元法(LSFEM),提出了模拟多维吸收散射性介质内瞬态辐射传输的数值模型.该模型有效地克服了在标准Galerkin有限元法(GFEM)中发生的伪振荡现象,在时间步长较大的情况下仍然可以得到光滑无振荡的解.而且,最小二乘法产生的求解系数矩阵是对称正定的,与GFEM中的系数矩阵相比,仅需要存储一半的非零系数,可以应用许多高效的迭代求解方法进行求解.为了检验模型,本文研究了一维吸收散射性介质内瞬态辐射传输问题,其结果与蒙特卡洛法(MCM)和积分模型法(IE)的结果进行了比较,结果证实:本文的方法可以精确、高效地模拟参与性介质内的瞬态辐射传输.     

解不可压缩流体力学问题的降阶法——Ⅱ.空间Vh的基函数和误差估计

本文对于一大类数值求解二维Navier-Stokes方程边值问题的有限元格式给出了零散度空间V^h的一组简单基函数,讨论了速度的数值误差对压力的数值解的影响,并提出一个改进算法。     

A High-Order Projection Method for Tracking Fluid Interfaces in Variable Density Incompressible Flows

We present a numerical method for computing solutions of the incompressible Euler or Navier–Stokes equations when a principal feature of the flow is the presence of an interface between two fluids with different fluid properties. The method is based on a second-order projection method for variable density flows using an “approximate projection” formulation. The boundary between the fluids is tracked with a second-order, volume-of-fluid interface tracking algorithm. We present results for viscious Rayleigh–Taylor problems at early time with equal and unequal viscosities to demonstrate the convergence of the algorithm. We also present computational results for the Rayleigh–Taylor instability in air-helium and for bubbles and drops in an air–water system without surface tension to demonstrate the behavior of the algorithm on problems with large density and viscosity contrasts.     

Light attenuation in a semitransparent foam sheet-Thickness measurement for industrial use

An optical method for measuring the thickness of heterogeneous materials has been studied. The method is based on the light attenuation theory. A complete system has been constructed in order to demonstrate the applicability of the present method for industrial use. The experimental set-up consists of semiconductor lasers, focusing lenses, photo-diodes serving as a power meter and a personal computer with an A/D converter for data acquisition. Averaging of numerous measurements is required in the present method because the heterogeneous cell structure of the foam material yields large fluctuations in transmitted light levels. The fluctuations can be reduced to below 1% of the transmitted light power by 80 times averaging. The error of the measurement is considered to be a few tens of micrometers in thickness. The present system is capable of sampling data at a rate of 400 Hz and has been successfully applied to a manufacturing process.     

两点边值问题解的一种有效算法

本文讨论非线性微分方程边值问题的数值解。对非线性项在局部予以线性化后,再应用打靶方法求解,可加快收敛过程;同时对线性化的函数值采取插值逼近,进一步减少了计算量。本文算法格式简便、编程容易。若辅助内、外存交换技术,利用本文算法,可在微机上完成较大规模复杂问题的分析。算例表明,本文算法大大快于用牛顿法求解一些差分格式方程的收敛速度。     

Free energy evaluation in field-theoretic polymer simulations

We present a thermodynamic integration method for free energy evaluation in field-theoretic simulations of classical fluids and polymers. The approach employs an Einstein crystal reference state, analogous to a method developed for particle simulations of crystals by Frenkel and Ladd, but applies equally well in the present context to ordered and disordered phases. Thermodynamic averages are computed using complex Langevin sampling, which is effective against the sign problem inherent to polymer field theories. Our method is illustrated in the context of a diblock copolymer melt, where we provide a demonstration of the experimentally observed transition between the cubic gyroid and disordered phases.     

Method for computing the anisotropy of the solid-liquid interfacial free energy.

We present a method to compute accurately the weak anisotropy of the solid-liquid interfacial free energy, a parameter which influences dendritic evolution in materials with atomically rough interfaces. The method is based on monitoring interfacial fluctuations during molecular dynamics simulation and extracting the interfacial stiffness which is an order of magnitude more anisotropic than the interfacial free energy. We present results for pure Ni with interatomic potentials derived from the embedded atom method.     

A new approach for analysis of closed dielectric waveguides

The dispersion characteristics of a class of closed dielectric waveguides are investigated by the method which combines the building-block approach of mul timode network theory with rigorous mode matching procedure. Several numerical examples for different guiding structures have been given by the approach. The same structures are also analyzed with the finite element method and the EDC method for comparison. The calculations show that the present approach yields as highly accurate results as the finite element method while almost retaining the simplicity of the EDC method, and justify the utility of the present method     

数值求解三维含时Schr?dinger方程及其应用

发展了一套高精度、高效率的伪谱方法,以非微扰的方式求解真实原子三维含时Schrdinger方程.该方法选用二阶劈裂算符作为时间演化算子,分别选择能谱表象和坐标表象作为含时波函数演化的两个表象.在坐标表象下波函数的径向部分使用库仑波函数离散变量表象来离散;角向波函数展开在两维的Gauss-Legendre-Fourier格点上.以H原子的光激发和光电离过程为例,进行了数值计算并和解析解进行了比对.结果表明二者符合很好.该方法很好地处理了库仑奇点问题.还计算了强激光辐照H原子的多光子电离过程,并和其他的数值方案进行了比较.结果表明,在计算收敛的前提下本方法计算效率更高. 关键词： 三维含时Schrdinger方程 库仑奇点 强场 含时波包传播