Near-field performance analysis of locally-conformal perfectly matched absorbers via Monte Carlo simulations

In the numerical solution of some boundary value problems by the finite element method (FEM), the unbounded domain must be truncated by an artificial absorbing boundary or layer to have a bounded computational domain. The perfectly matched layer (PML) approach is based on the truncation of the computational domain by a reflectionless artificial layer which absorbs outgoing waves regardless of their frequency and angle of incidence. In this paper, we present the near-field numerical performance analysis of our new PML approach, which we call as locally-conformal PML, using Monte Carlo simulations. The locally-conformal PML method is an easily implementable conformal PML implementation, to the problem of mesh truncation in the FEM. The most distinguished feature of the method is its simplicity and flexibility to design conformal PMLs over challenging geometries, especially those with curvature discontinuities, in a straightforward way without using artificial absorbers. The method is based on a special complex coordinate transformation which is ‘locally-defined’ for each point inside the PML region. The method can be implemented in an existing FEM software by just replacing the nodal coordinates inside the PML region by their complex counterparts obtained via complex coordinate transformation. We first introduce the analytical derivation of the locally-conformal PML method for the FEM solution of the two-dimensional scalar Helmholtz equation arising in the mathematical modeling of various steady-state (or, time-harmonic) wave phenomena. Then, we carry out its numerical performance analysis by means of some Monte Carlo simulations which consider both the problem of constructing the two-dimensional Green’s function, and some specific cases of electromagnetic scattering.     

An improved perfectly matched layer for the eigenmode expansion technique

When performing optical simulations for rotationally symmetric geometries using the eigenmode expansion technique, it is necessary to place the geometry under investigation inside a cylinder with perfectly conducting walls. The parasitic reflections at the boundary of the computational domain can be suppressed by introducing a perfectly matched layer (PML) using e.g. complex coordinate stretching of the cylinder radius. However, the traditional PML suffers from an artificial field divergence limiting its usefulness. We show that the choice of a constant cylinder radius leads to mode profiles with exponentially increasing field amplitudes resulting in numerical instability. As a remedy we propose an improved PML based on a mode-dependent cylinder radius and mode profiles with stable field amplitudes. The new PML formulation eliminates the artificial field divergence and ensures numerical stability.     

Frequency domain finite-element and spectral-element acoustic wave modeling using absorbing boundaries and perfectly matched layer

Wave propagation modeling as a vital tool in seismology can be done via several different numerical methods among them are finite-difference, finite-element, and spectral-element methods (FDM, FEM and SEM). Some advanced applications in seismic exploration benefit the frequency domain modeling. Regarding flexibility in complex geological models and dealing with the free surface boundary condition, we studied the frequency domain acoustic wave equation using FEM and SEM. The results demonstrated that the frequency domain FEM and SEM have a good accuracy and numerical efficiency with the second order interpolation polynomials. Furthermore, we developed the second order Clayton and Engquist absorbing boundary condition (CE-ABC2) and compared it with the perfectly matched layer (PML) for the frequency domain FEM and SEM. In spite of PML method, CE-ABC2 does not add any additional computational cost to the modeling except assembling boundary matrices. As a result, considering CE-ABC2 is more efficient than PML for the frequency domain acoustic wave propagation modeling especially when computational cost is high and high-level absorbing performance is unnecessary.     

有耗介质空间完全匹配层吸收边界条件及其应用

 针对Gedney提出的完全匹配层(PML)无法用于有耗各向同性计算域的截断及其对倏逝波的衰减不理想等问题,提出了一种扩展方法。扩展的PML的主要思想是在各向异性的PML中引入与有耗介质空间相一致的复介电常数和复磁导率,使之可以与有耗介质计算域相匹配。通过给PML的张量介电常数、张量磁导率增加衰减因子以加速倏逝波的衰减。构造了PML吸收效果验证模型,数值结果证明了扩展的PML在处理有耗介质计算域截断问题中的有效性。利用该吸收边界条件,采用时域有限差分法计算了电磁脉冲作用下地面铺设电缆的电磁脉冲响应,计算结果和试验结果取得了较好的一致。     

卷积完全匹配层在两维声波有限元计算中的应用

将基于复坐标变换和复频移扩展坐标变量的卷积完全匹配层Convolution Perfectly Machted Layer(CPML)引入到两维声波方程的有限元(FEM)计算中,该匹配层作为一种吸收边界条件Absorbing Boundary Condition(ABC)应用在有限元计算的边界截断上。文中分别给出了频域和时域的CPML方程的表达形式,并在有限元计算软件COMSOL中完成数值计算。相对于经典的PML,CPML最大的优势在于它不需要把场分裂开,这使其具有更好的稳定性和更高的吸收性能,且更易于实现。数值计算结果表明,CPML边界层有着比PML更好的吸收效果,其更有效的吸收了进入其中的声场能量。      

Application of convolution perfectly matched layer in finite element method calculation for 2D acoustic wave

A method was presented to extend the Convolution Perfectly Matched Layer(CPML), which bases on the complex coordinates transformation and complex frequency shifted stretched-coordinate metrics,to the 2D acoustic equation calculated with the method of Finite Element Method(FEM).This non-physical layer is used at the computational edge of a FEM as an Absorbing Boundary Condition(ABC) to truncate unbounded media.In this paper,the CPML equations have been presented in frequency domain and in time domain,respectively,and the calculations have been realized in the FEM software of COMSOL.The main advantage of CPML over the classical PML layer is that it is based on the unsplit components of the wave field leading to a more stable,highly effective absorption and a more facility to realize.The results of numerical simulation demonstrate that CPML has better absorbability than PML and it absorbs the outgoing energy more effectively.     

Simulation of wireline sonic logging measurements acquired with Borehole–Eccentered tools using a high-order adaptive finite-element method

The paper introduces a high-order, adaptive finite-element method for simulation of sonic measurements acquired with borehole-eccentered logging instruments. The resulting frequency-domain based algorithm combines a Fourier series expansion in one spatial dimension with a two-dimensional high-order adaptive finite-element method (FEM), and incorporates a perfectly matched layer (PML) for truncation of the computational domain. The simulation method was verified for various model problems, including a comparison to a semi-analytical solution developed specifically for this purpose. Numerical results indicate that for a wireline sonic tool operating in a fast formation, the main propagation modes are insensitive to the distance from the center of the tool to the center of the borehole (eccentricity distance). However, new flexural modes arise with an increase in eccentricity distance. In soft formations, we identify a new dipole tool mode which arises as a result of tool eccentricity.     

全局稳定性一致的共形卷积完全匹配层

在正交网格体系中建立物理模型共形描述的基础上,针对采用扩展元胞技术的共形时域有限差分(ECT-CFDTD)方法模拟计算波导器件遇到的开放端口截断问题,给出了积分形式的共形卷积完全匹配层方法,算法具有与ECT-CFDTD相同的数值稳定性。设置不同的完全匹配层的控制参数,对波导中有消逝波存在的情况进行长时间模拟计算,分析共形卷积完全匹配层对消逝波的长效截断能力,分析卷积完全匹配层的截断误差。计算结果显示:积分形式的共形卷积完全匹配层可有效截断波导器件的开放端口。     

应用高阶有限元-局部共形完全匹配层算法分析电磁散射问题

提出局部共形完全匹配层在高阶有限元中的实现方法,用于分析三维电磁散射问题.基于定义在局部高阶单元上的实坐标、复坐标以及参数坐标三者之间的映射关系,局部共形完全匹配层不仅能够贴近复杂结构散射体的外廓形状设置截断区域,有效地缩减有限元分析区域,而且由于保证了较高的几何拟合精度,可以有效地提高数值计算结果的准确性.利用这种结合局部共形完全匹配层的高阶有限元方法分析不同目标的电磁散射特性,数值结果表明方法的正确性和有效性.     

快速多极边界元法用于扩散光学断层成像研究

在求解扩散光学断层成像中的正向问题时, 目前普遍采用有限元法, 但是随着实际模型规模的增大, 有限元法的计算量问题日益显著, 而边界元法则由于可以降低计算维度使计算量减少而备受关注. 本文以均匀的高散射介质为模型, 研究了将快速多极边界元法用于扩散光学断层成像的正向问题. 快速多极边界元法利用核函数的多极展开, 将常规边界元法中系数矩阵和迭代矢量的乘积项等价为相应四叉树结构的一次递归, 再结合广义最小残量法进行迭代求解. 将计算结果和蒙特卡罗法的模拟结果进行了比较, 表明利用快速多极边界元法的模拟结果和蒙特卡罗法的结果有很好的一致性. 研究结果验证了快速多极边界元法可以用于扩散光学断层成像, 为其大规模和实时成像带来可观的前景. 关键词： 扩散光学断层成像 边界元法 快速多极边界元法     

Monte Carlo renormalization group

Monte Carlo computer simulations have long been used to obtain information on the behavior of thermodynamic systems. The method has the advantages of being applicable to a very large class of models and of using only systematically improvable approximations (finite size of system, statistical errors, etc.). However, in the critical region, finite-size effects mask the critical singularities, and put severe practical limits onto the accuracy to which the true critical behavior can be determined. By combining Monte Carlo simulations with a real-space renormalization-group analysis, a large increase in efficiency and accuracy can be achieved—without the uncertainties of the usual truncation approximations. The methods are illustrated by explicit calculations on models exhibiting critical and tricritical behavior.     

基于Z变换的高阶完全匹配层实现

基于拉伸坐标完全匹配层(SC-PML)公式和Z变换方法,提出以非分裂场形式来实现具有多极点的高阶完全匹配层的高效算法,来截断时域有限差分(FDTD)网格.在吸收性能方面,高阶PML同时具有传统PML和复频率偏移完全匹配层(CFS-PML)二者的优点.提供的数值算例是二维TE极化电磁波与无限长且有限宽度的理想电导体(PEC)薄片的相互作用.仿真结果显示,高阶PML公式在衰减低频行波和隐失波及减少后期反射方面效果好,比传统SC-PML和复频率偏移的卷积完全匹配层(CPML)算法有更好的吸收性能.     

Uniform stable conformal convolutional perfectly matched layer for enlarged cell technique conformal finite-difference time-domain method

Based on conformal construction of physical model in a three-dimensional Cartesian grid,an integral-based conformal convolutional perfectly matched layer(CPML) is given for solving the truncation problem of the open port when the enlarged cell technique conformal finite-difference time-domain(ECT-CFDTD) method is used to simulate the wave propagation inside a perfect electric conductor(PEC) waveguide.The algorithm has the same numerical stability as the ECT-CFDTD method.For the long-time propagation problems of an evanescent wave in a waveguide,several numerical simulations are performed to analyze the reflection error by sweeping the constitutive parameters of the integral-based conformal CPML.Our numerical results show that the integral-based conformal CPML can be used to efficiently truncate the open port of the waveguide.     

Perfectly matched layers for modelling seismic oceanography experiments

Seismic oceanography techniques are able to provide oceanographic properties of the water masses by processing seismic reflection data. These techniques have reported reflected waves due to the fine structure in the ocean, whose order of magnitude is as weak as −80 dB. Thus, if we focus our attention on numerical simulation of this kind of oceanography experiments, the numerical performance of the method should allow obtaining accurate results, where the spurious reflections from the artificial boundaries of the computational grid are, at least, one order of magnitude smaller than the physical phenomena. This can be achieved by introducing perfectly matched layers (PML), which simulate non-reflecting boundaries. The aim of this work is to propose a numerical underwater propagation method, which combines a second-order finite-difference scheme in the physical region of interest with a first-order pressure/velocity discretization in the PML domain. This numerical method provides a low-cost computational algorithm with an accuracy, which allows recovering the reflected phenomena from the ocean fine structure, and moreover, with a spurious error of order −100 dB from the PML domain.     

Complete analysis of photonic crystal fibers by full-vectorial 2D-FDTD method

In this paper, an extended finite difference time domain (FDTD) algorithm for the full-vectorial analysis of photonic crystal fibers has been derived. For achieving a good convergence and high accuracy, a kind of modified conformal FDTD method has been applied. An anisotropic perfectly matched layer for truncation of boundary conditions has been introduced. Material and chromatic dispersions are numerically investigated for the photonic crystal fibers with different dimensions and geometrical parameters and different dispersion behaviors are exhibited.     

Alternative Oblique-Incidence Reflectometry for Measuring Tissue Optical Properties

To deduce the optical properties, the absorption coefficient SmU_aand reduced scattering coefficient μ’_s, of turbid medium, Lin et al. (Appl. Opt. 34 (1995) 2362) proposed an oblique incidence reflectometry in which the diffusion approximation was assumed. In this paper we propose an alternative method which does not assume the diffusion approximation but uses a Monte Carlo light propagation model. Two features are extracted from the diffuse reflectance distribution detected on the medium surface, and optical properties are then estimated by looking up the predetermined table generated by Monte Carlo simulations. The validity of the proposed method has been confirmed by computer simulations.     

Monte Carlo simulation of quantum statistical lattice models

In this article we review recent developments in computational methods for quantum statistical lattice problems. We begin by giving the necessary mathematical basis, the generalized Trotter formula, and discuss the computational tools, exact summations and Monte Carlo simulation, that will be used to examine explicit examples. To illustrate the general strategy, the method is applied to an analytically solvable, non-trivial, model: the one-dimensional Ising model in a transverse field. Next it is shown how to generalized Trotter formula most naturally leads to different path-integral representations of the partition function by considering one-dimensional fermion lattice models. We show how to analyze the different representations and discuss Monte Carlo simulation results for one-dimensional fermions. Then Monte Carlo work on one- and two-dimensional spin-$\text{1}\text{2}$ models based upon the Trotter formula approach is reviewed and the more dedicated Handscomb Monte Carlo method is discussed. We consider electron-phonon models and discuss Monte Carlo simulation data on the Molecular Crystal Model in one, two and three dimensions and related one-dimensional polaron models. Exact numerical results are presented for free fermions and free bosons in the canonical ensemble. We address the main problem of Monte Carlo simulations of fermions in more than one dimension: the cancellation of large contributions. Free bosons on a lattice are compared with bosons in a box and the effects of finite size on Bose-Einstein condensation are discussed.     

Unconditionally Stable Complex Envelope Wave Equation PML Algorithm for Band Limited FDTD Simulations

Unconditionally stable complex envelope (CE) perfectly matched layer (PML) absorbing boundary conditions (ABCs) are presented for truncating the scalar wave-equation finite difference time domain (WE-FDTD) grids. The formulations are based on incorporating the alternating direction implicit (ADI) scheme into the CE FDTD implementations of the scalar wave-equation derived in the PML region at the domain boundaries. Numerical example carried out in two dimensional domain shows that the proposed formulations are more accurate than the classical ADI scalar wave equation PML formulations when it is used for modelling band limited electromagnetic applications.     

孔隙介质与液体界面上波动方程数值模拟的改进 方案——MPML边界条件的应用*

由于波场数值模拟的计算区域是有限的,为了压制截断边界造成的人工边界反射,通常采用完全匹配层作为吸收边界条件。但是在含液-固界面的弹性介质中进行正演模拟时,完全匹配层边界条件容易造成稳定性方面的问题。因此,该文将多轴完全匹配层应用于该类介质的正演模拟,以改善完全匹配层边界条件引起的不稳定问题。通过在具有弹性海底的海洋环境模型以及充填液体的井孔模型中进行弹性波方程的正演模拟,分别采用传统的完全匹配层和多轴完全匹配层作为吸收边界条件,对比验证了多轴完全匹配层在含液-固界面弹性介质中数值模拟的有效性和稳定性。     

Ag/Si(111)-(7X7) Heteroepitaxy—STM Experiment and KMC Simulations

Heteroepitaxial growth of Ag on Si(111)-(7X7) surface at various conditions was experimentally studied by scanning tunneling microscopy. A growth model based on experiments was used for kinetic Monte Carlo (KMC) simulations. The simulations of nucleation and island growth at low coverage and fitting experimental data provided basic growth parameters. Further growth—formation of a discontinuous transition film (wetting layer)—was implemented into the basic model. The suggested growth mechanism was successfully tested using the KMC simulations. The choice of experiments, the role of minimizing processes and parameters in the model, and efficiency of the used approach is demonstrated and discussed.