Perfectly matched layers in a divergence preserving ADI scheme for electromagnetics

For numerical simulations of highly relativistic and transversely accelerated charged particles including radiation fast algorithms are needed. While the radiation in particle accelerators has wavelengths in the order of 100 μm the computational domain has dimensions roughly five orders of magnitude larger resulting in very large mesh sizes. The particles are confined to a small area of this domain only. To resolve the smallest scales close to the particles subgrids are envisioned. For reasons of stability the alternating direction implicit (ADI) scheme by Smithe et al. [D.N. Smithe, J.R. Cary, J.A. Carlsson, Divergence preservation in the ADI algorithms for electromagnetics, J. Comput. Phys. 228 (2009) 7289–7299] for Maxwell equations has been adopted. At the boundary of the domain absorbing boundary conditions have to be employed to prevent reflection of the radiation. In this paper we show how the divergence preserving ADI scheme has to be formulated in perfectly matched layers (PML) and compare the performance in several scenarios.     

Adaptive gamma correction based on cumulative histogram for enhancing near-infrared images

Histogram-based methods have been proven their ability in image enhancement. To improve low contrast while preserving details and high brightness in near-infrared images, a novel method called adaptive gamma correction based on cumulative histogram (AGCCH) is studied in this paper. This novel image enhancement method improves the contrast of local pixels through adaptive gamma correction (AGC), which is formed by incorporating a cumulative histogram or cumulative sub-histogram into the weighting distribution. Both qualitatively and quantitatively, experimental results demonstrate that the proposed image enhancement with the AGCCH method can perform well in brightness preservation, contrast enhancement, and detail preservation, and it is superior to previous state-of-the-art methods.     

正则系综的变电荷分子动力学方法

在迭代变电荷方法的基础上加以改进得到适于正则系综的变电荷方法.利用正则系综的热浴方法补偿模拟过程中动能的衰减.分子动力学模拟的结果表明,改进的变电荷方法能够避免能量漂移问题,在相同的电荷精度条件下,所需的迭代次数减少,可提高计算效率.     

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.     

A multi-block ADI finite-volume method for incompressible Navier–Stokes equations in complex geometries

An efficient second-order accurate finite-volume method is developed for a solution of the incompressible Navier–Stokes equations on complex multi-block structured curvilinear grids. Unlike in the finite-volume or finite-difference-based alternating-direction-implicit (ADI) methods, where factorization of the coordinate transformed governing equations is performed along generalized coordinate directions, in the proposed method, the discretized Cartesian form Navier–Stokes equations are factored along curvilinear grid lines. The new ADI finite-volume method is also extended for simulations on multi-block structured curvilinear grids with which complex geometries can be efficiently resolved. The numerical method is first developed for an unsteady convection–diffusion equation, then is extended for the incompressible Navier–Stokes equations. The order of accuracy and stability characteristics of the present method are analyzed in simulations of an unsteady convection–diffusion problem, decaying vortices, flow in a lid-driven cavity, flow over a circular cylinder, and turbulent flow through a planar channel. Numerical solutions predicted by the proposed ADI finite-volume method are found to be in good agreement with experimental and other numerical data, while the solutions are obtained at much lower computational cost than those required by other iterative methods without factorization. For a simulation on a grid with O(10⁵) cells, the computational time required by the present ADI-based method for a solution of momentum equations is found to be less than 20% of that required by a method employing a biconjugate-gradient-stabilized scheme.     

A new electromagnetic particle-in-cell model with adaptive mesh refinement for high-performance parallel computation

A new electromagnetic particle-in-cell (EMPIC) model with adaptive mesh refinement (AMR) has been developed to achieve high-performance parallel computation in distributed memory system. For minimizing the amount and frequency of inter-processor communications, the present study uses the staggering grid scheme with the charge conservation method, which consists only of the local operations. However, the scheme provides no numerical damping for electromagnetic waves regardless of the wavenumber, which results in significant noise in the refinement region that eventually covers over physical signals. In order to suppress the electromagnetic noise, the present study introduces a smoothing method which gives numerical damping preferentially for short wavelength modes. The test simulations show that only a weak smoothing results in drastic reduction in the noise, so that the implementation of the AMR is possible in the staggering grid scheme. The computational load balance among the processors is maintained by a new method termed the adaptive block technique for the domain decomposition parallelization. The adaptive block technique controls the subdomain (block) structure dynamically associated with the system evolution, such that all the blocks have almost the same number of particles. The performance of the present code is evaluated for the simulations of the current sheet evolution. The test simulations demonstrate that the usage of the adaptive block technique as well as the staggering grid scheme enhances significantly the parallel efficiency of the AMR-EMPIC model.     

Ion-focused propagation of a relativistic electron beam in the self-generated plasma in atmosphere

It is known that ion-focused regime (IFR) can effectively suppress expansion of a relativistic electron beam (REB). Using the particle-in-cell Monte Carlo collision (PIC-MCC) method, we numerically investigate the propagation of an REB in neutral gas. The results demonstrate that the beam body is charge neutralization and a stable IFR can be established. As a result, the beam transverse dimensions and longitudinal velocities keep close to the initial parameters. We also calculate the charge and current neutralization factors of the REB. Combined with envelope equations, we obtain the variations of beam envelopes, which agree well with the PIC simulations. However, both the energy loss and instabilities of the REB may lead to a low transport efficiency during long-range propagation. It is proved that decreasing the initial pulse length of the REB can avoid the influence of electron avalanche. Using parts of REB pulses to build a long-distance IFR in advance can improve the beam quality of subsequent pulses. Further, a long-distance IFR may contribute to the implementation of long-range propagation of the REB in space environment.     

Dispersion and transport of energetic particles due to the interaction of intense laser pulses with overdense plasmas

We study the angular distribution of relativistic electrons generated through laser-plasma interaction with pulse intensity varying from 10(18) W/cm2 up to 10(21) W/cm2 and plasma density ranging from 10 times up to 160 times critical density with the help of 2D and 3D particle-in-cell simulations. This study gives clear evidence that the divergence of the beam is an intrinsic property of the interaction of a laser pulse with a sharp density gradient. It is entirely due to the excitation of large static magnetic fields in the layer of interaction. The energy deposited in this layer increases drastically the temperature of the plasma independently of the initial temperature. This makes the plasma locally collisionless and the simulation relevant for the current experiments.     

On the vacuum expectation value of the σ-term

Performing the equal-time limit under the integral of the spectral representation for the vacuum expectation value of the current commutator it is shown (as already suggested by models) that the vacuum expectation value of the equal-time commutator of a hermitean charge and the divergence of the corresponding (hermitean) vector or axial vector current (“σ-term”) vanishes only if the current is conserved. This then implies that a nonconserved hermitean charge cannot annihilate the vacuum, in agreement with Coleman's theorem.     

Preliminary design and simulation of a 162.5 MHz high- intensity proton RFQ for an accelerator driven system

A new procedure for the design and simulation of a Radio Frequency Quadrupole (RFQ) accelerator has been developed at the Argonne National Laboratory. This procedure is integrated with the beam dynamics design code DESRFQ and the simulation code TRACK, which are based on three-dimensional field calculations and the particle-in-cell mode beam dynamics simulations. This procedure has been applied to the development of a 162.5 MHz CW RFQ which is capable of delivering a 10 mA proton beam for the Accelerator Driven System (ADS) of the CAS. The simulation results show that this RFQ structure is characterized by the stable values of the beam acceleration efficiency for both the zero current beam and space charge dominated beam. For an average beam current of 10 mA, there is no transverse rms emittance growth, the longitudinal rms emittance at the exit of RFQ is low enough and there is no halo formation. The beam accelerated in the RFQ could be accepted easily and smoothly by the following super-conducting linear accelerator.     

解二维对流扩散方程的块ADI方法

构造了解二维对流扩散方程的块交替方向隐式(ADI)方法。块ADI方法绝对稳定,并且具有计算和通讯的局部化特点,适合在分布存储的大规模并行计算系统上应用。文中给出了工作站机群系统上并行计算的数值例子     

A numerical scheme for particle-laden thin film flow in two dimensions

The physics of particle-laden thin film flow is not fully understood, and recent experiments have raised questions with current theory. There is a need for fully two-dimensional simulations to compare with experimental data. To this end, a numerical scheme is presented for a lubrication model derived for particle-laden thin film flow in two dimensions with surface tension. The scheme relies on an ADI process to handle the higher-order terms, and an iterative procedure to improve the solution at each timestep. This is the first paper to simulate the two-dimensional particle-laden thin film lubrication model. Several aspects of the scheme are examined for a test problem, such as the timestep, runtime, and number of iterations. The results from the simulation are compared to experimental data. The simulation shows good qualitative agreement. It also suggests further lines of inquiry for the physical model.     

Dislocation patterns and the similitude principle: 2.5D mesoscale simulations

During plastic flow of crystalline solids, dislocations self-organize in the form of patterns, with a wavelength that is inversely proportional to stress. After four decades of investigations, the origin of this property is still under discussion. We show that dislocation patterns verifying the principle of similitude can be obtained from dynamics simulations of double slip. These patterns are formed in the presence of long- and short-range interactions, but they are not significantly modified when only short-range interactions are present. This new insight into dislocation patterning phenomena has important implications regarding current models.     

Bipolar quantum corrections in resolving individual dopants in ‘atomistic’ device simulation

In ‘atomistic’ device simulation the resolving of discrete charges onto a fine-grained simulation mesh can lead to problems. The sharply resolved Coloumb potential can cause simulation artefacts to appear in classical simulation environments using Boltzmann or Fermi–Dirac statistics. Various methods have been proposed in an effort to reduce or eliminate such artefacts as the localisation of mobile carriers by sharply resolved Coulomb wells, however they have met with limited success. In this paper we present an alternative approach for handling discrete charges in drift diffusion ‘atomistic’ simulations by properly introducing the related quantum mechanical effects using the density gradient formalism for both electrons and holes. This eliminates the trapping of mobile charge in heavily doped regions of the device and the related artefacts in the simulated device characteristics.     

冷坩埚磁悬浮熔炼的电磁场分析

针对冷坩埚熔炼过程的悬浮特性问题,利用准三维耦合电流算法,就坩埚结构、电磁频率及感应圈电流等影响因素进行分析,为冷坩埚结构和磁悬浮熔炼的优化设计提供依据。结果显示,冷坩埚熔炼时,电磁场频率和冷坩埚结构决定坩埚的透磁能力,随频率上升,坩埚内磁通密度下降,且频率高于100kHz时下降趋势加大;其次,冷坩埚的分瓣结构使其涡流损耗降低,且磁场频率越高效果越明显。对100kHz以上的超高频磁场,坩埚应分割为(16~20)瓣;对(10~100)kHz的高频磁场,坩埚可分割为(8~12)瓣;而对低于10kHz的中高频磁场,坩埚只需分割(4~8)瓣。再者,熔体的磁悬浮力与感应圈电流成平方关系,且电磁场频率越高则磁悬浮力越大。     

带有碳杂质的钨中氢稳定性的第一性原理研究

应用第一性原理计算方法研究了碳(C)原子对钨(W)中氢(H)原子稳定性的影响. 本征W中, 当C-H间距离为～2.5 Å时, H的溶解能出现最低值, 此时为H最稳定的位置. W中存在空位时, 由于C的影响, H占据的最佳电子密度面值为0.10 Å^-3. 研究发现, W中单空位最多能容纳10个H原子, 且不能形成H分子, 不同于没有C存在的情况, 表明C对W中H稳定性存在很大影响. 此外, 当两个C原子存在于空位中时, H占据的最佳电子密度面值变为0.13 Å^-3.     

Monte Carlo Simulations of the Influence of Ion‐Neutral Collisions on the Ion Currents Collected by Electrostatic Probes

We have carried out Monte Carlo simulation of the motion of Ar⁺ ions in the space charge sheath surrounding a cylindrical Langmuir probe. The ion currents to the probe have been calculated from these simulations and the percentages of ions crossing the sheath boundary that are collected by the probe have been determined. It has been shown that the collisions of ions with neutral helium gas atoms in the sheath increase the percentage of ions collected by the probe above that predicted by collisionless orbital motion limited current (OMLC) theory at lower helium pressure and decrease this percentage below the OMLC theory prediction at higher helium pressure. It has been shown also that the ion current almost does not depend on probe radius at higher helium pressures. The results of the simulations have been compared with recent Langmuir probe measurements made in flowing afterglow plasmas and with other probe theories.     

用修正三梯度法测量束流发射度

 介绍了修正三梯度法的原理和利用该方法测量发射度的实验装置。编写了基于束包络方程的数值拟合程序，并进行了模拟计算。用修正三梯度法对3.5MeV注入器出口处脉冲电子束的发射度做了时间分辨的测量。结果表明，当空间电荷力不可忽略时，该注入器输出的电子束脉冲期间中间部分束的发射度为1 040π·mm·mrad。     

Experimental determination of dust-particle charge in a discharge plasma at elevated pressures

The charge of dust particles is determined experimentally in a bulk dc discharge plasma in the pressure range 20-100 Pa. The charge is obtained by two independent methods: one based on an analysis of the particle motion in a stable particle flow and another on an analysis of the transition of the flow to an unstable regime. Molecular-dynamics simulations of the particle charging for conditions similar to those of the experiment are also performed. The results of both experimental methods and the simulations demonstrate good agreement. The charge obtained is several times smaller than predicted by the collisionless orbital motion theory, and thus the results serve as an experimental indication that ion-neutral collisions significantly affect particle charging.     

Effect of single-electron interface trapping in decanano MOSFETs: A 3D atomistic simulation study

We study the effect of trapping/detrapping of a single-electron in interface states in the channel of n-type MOSFETs with decanano dimensions using 3D atomistic simulation techniques. In order to highlight the basic dependencies, the simulations are carried out initially assuming continuous doping charge, and discrete localized charge only for the trapped electron. The dependence of the random telegraph signal (RTS) amplitudes on the device dimensions and on the position of the trapped charge in the channel are studied in detail. Later, in full-scale, atomistic simulations assuming discrete charge for both randomly placed dopants and the trapped electron, we highlight the importance of current percolation and of traps with strategic position where the trapped electron blocks a dominant current path.