Sample size adaptive strategy for time-dependent Monte Carlo particle transport simulation

When multiphysics coupling calculations contain time-dependent Monte Carlo particle transport simulations, these simulations often account for the largest part of the calculation time, which is insufferable in certain important cases. This study proposes an adaptive strategy for automatically adjusting the sample size to fulfil more reasonable simulations. This is realized based on an extension of the Shannon entropy concept and is essentially different from the popular methods in timeindependent Monte Carlo particle transport simulations, such as controlling the sample size according to the relative error of a target tally or by experience. The results of the two models show that this strategy can yield almost similar results while significantly reducing the calculation time. Considering the efficiency, the sample size should not be increased blindly if the efficiency cannot be enhanced further. The strategy proposed herein satisfies this requirement.

On the energy conservation electrostatic particle-in-cell/Monte Carlo simulation: Benchmark and application to the radio frequency discharges

We benchmark and analyze the error of energy conservation （EC） scheme in particle-in-cell/Monte Carlo （PIC/MC） algorithms by simulating the radio frequency discharge. The plasma heating behaviors and electron distributing functions obtained by one-dimensional （1D） simulation are analyzed. Both explicit and implicit algorithms are checked. The results showed that the EC scheme can eliminated the self-heating with wide grid spacing in both cases with a small reduction of the accuracies. In typical parameters, the EC implicit scheme has higher precision than EC explicit scheme. Some ＂numerical cooling＂ behaviors are observed and analyzed. Some other errors are also analyzed. The analysis showed that the EC implicit scheme can be used to qualitative estimation of some discharge problems with much less computational resource cost without much loss of accuracies.

Implicit electrostatic particle-in-cell/Monte Carlo simulation for the magnetized plasma:Algorithms and application in gas-inductive breakdown

An implicit electrostatic particle-in-cell/Monte Carlo （PIC/MC） algorithm is developed for the magnetized discharging device simulation. The inductive driving force can be considered. The direct implicit PIC algorithm （DIPIC） and energy conservation scheme are applied together and the grid heating can be eliminated in most cases. A tensor-susceptibility Poisson equation is constructed. Its discrete form is made up by a hybrid scheme in one-dimensional （1D） and two- dimensional （2D） cylindrical systems. A semi-coarsening multigrid method is used to solve the discrete system. The algorithm is applied to simulate the cylindrical magnetized target fusion （MTF） pre-ionization process and get qualitatively correct results. The potential application of the algorithm is discussed briefly.

Monte Carlo Simulation of Laser-Ablated Particle Splitting Dynamic in a Low Pressure Inert Gas

A Monte Carlo simulation method with an instantaneous density dependent meanfree-path of the ablated particles and the Ar gas is developed for investigating the transport dynamics of the laser-ablated particles in a low pressure inert gas.The ablated-particle density and velocity distributions are analyzed.The force distributions acting on the ablated particles are investigated.The influence of the substrate on the ablated-particle velocity distribution and the force distribution acting on the ablated particles are discussed.The Monte Carlo simulation results approximately agree with the experimental data at the pressure of 8 Pa to 17 Pa.This is helpful to investigate the gas phase nucleation and growth mechanism of nanoparticles.

Particle-in-cell/Monte Carlo simulation of filamentary barrier discharges

The plasma behavior of filamentary barrier discharges in helium is simulated using a twodimensional（2D） particle-in-cell/Monte Carlo model. Four different phases have been suggested in terms of the development of the discharge： the Townsend phase; the space-charge dominated phase; the formation of the cathode layer, and the extinguishing phase. The spatialtemporal evolution of the particle densities, velocities of the charged particles, electric fields, and surface charges has been demonstrated. Our simulation provides insights into the underlying mechanism of the discharge and explains many dynamical behaviors of dielectric barrier discharge（DBD） filaments.

Monte Carlo study on abnormal growth of Goss grains in Fe-3%Si steel induced by second-phase particles

The selective abnormal growth of Goss grains in magnetic sheets of Fe-3%Si （grade Hi-B） induced by second-phase particles （AlN and MnS） was studied using a modified Monte Carlo Ports model. The starting microstructures for the simulations were generated from electron backscatter diffraction （EBSD） orientation imaging maps of recrystallized samples. In the simulation, second-phase particles were assumed to be randomly distributed in the initial microstructures and the Zener drag effect of particles on Goss grain boundaries was assumed to be selectively invalid because of the unique properties of Goss grain boundaries. The simulation results suggest that normal growth of the matrix grains stagnates because of the pinning effect of particles on their boundaries. During the onset of abnormal grain growth, some Goss grains with concave boundaries in the initial microstructure grow fast abnormally and other Goss grains with convex boundaries shrink and eventually disappear.

LIGHT ION REFLECTION STUDIED BY MONTE CARLO SIMULATION AND TRANSPORT THEORY

The reflection of light ions, such as H+,3He+ and 4He+, with energies of 0.1- 10 keV, from Cu and Ni surface has been studied by Monte Carlo simulation and transport theory. The Monte Carlo simulation gives the detail energy spectra for the reflected particles and their angular distribution for different incident angles. It shows that the reflected particle energy spectra can be approximately described by an analytical formula for the whole energy range, all the incident angles and different ion- target combination studied here. The reflected particle energy vs its average reflection angle to the surface normal can almost be expressed by a universal curve for all cases studied here. The reflection energy spectra are used for the calculation of the reflection coefficient by transport theory including the realistic surface correction. The present work is compared with both experimental measurement and other simulation codes.

Excluded Volumes of Anisotropic Convex Particles in Heterogeneous Media:Theoretical and Numerical Studies

Understanding the excluded volume of anisotropic particle is of great importance in the evaluation of continuum percolation and random packing behaviors of soft/hard particle systems in heterogeneous disordered media.In this work,we obtain the excluded volumes of several anisotropic convex particles including prolate spheroids,oblate spheroids,spherocylinders,and Platonic particles,using theoretical and numerical approaches.According to the second virial coefficient,we first present a theoretical scheme for determining the excluded volumes of anisotropic particles.Also,the mean tangent diameters of anisotropic convex particles are formulated by the quantitative stereology.Subsequently,Monte Carlo simulations are demonstrated to numerically evaluate the excluded volumes.The theoretical results of the dimensionless excluded volume are thereafter compared with that of the numerical results to verify the validity of the theoretical scheme.We further investigate the dependence of the dimensionless excluded volume on the geometric characteristics of anisotropic particles based on the proposed theoretical and numerical schemes.Results show that the dimensionless excluded volume mainly relies on the shape and surface information of anisotropic particles.The developed theoretical and numerical schemes can provide theoretical insights into the percolation threshold and packing density of soft/hard anisotropic particle systems in heterogeneous materials,physics,and chemistry fields.

Background Simulation of a Fission Fragment Chamber in the Experiment of ^(209)Bi(e,e’K^+)^(209)_ ΛPb

An experiment for measuring the hyperon-related fission rate was carried out with the reaction 209^Bi（e, e＇K^＋）209^hPb at the Thomas Jefferson National Laboratory （Jlab）. In the experiment, the performance of the fission fragment detector （FFD） was dramaticlly crashed by the background particles in comparison with that during the test without beam. The scattering of the high intensity （500 nA） primary electrons was the dominant cause. Using the GEANT4 toolkit, this report simulates the experimental situation of the target chamber in which the FFD was located. The simulation results indicate that the background particles were dominantly （~ electrons, and protons and alpha particles were the important heavy background particles. The performance of the multi-wire proportional chambers （MWPCs） depends not only on the background-particle intensity but also the current density, which was also given by the simulation code. Furthermore, the measures to suppress the background particles were also investigated with the simulation code.

Some New Particles beyond the Standard Model

In this work a simulated B-L model at Large Hadrons Collider is presented using Monte Carlo si- mulation software. B-L model is one of the scenarios proposed to add an extension of the standard models. B-L model predicts the existence of three new particles at the LHC. They are a new neutral massive gauge boson, three heavy neutrinos and a heavy Higgs boson.

Energy-States of Particles with Representational Spin

In this paper, an algorithm to produce a transition matrix between all states in ideal anti-paramagetic system under the simulated annealing condition that only moves to lower energy states are accepted. The check the accuracy of the transition matrix is confirmed by computer simulation, showing close agreement between model and simulation results.

Three-dimensional PIC/MCC simulation of electron deposition in JAEA 10 A ion sources

A systematic research on the electron deposition process in the JAEA 10 A ion source is carried out by using a particle-in-cell/Monte Carlo collision simulation, which is based on a full three-dimensional self-developed code. Two parts are studied. One is the space and energy distribution of fast and slow electrons, the other is the vibration excitation collisions between electrons and hydrogen moleculars. The results show that the inhomogeneity of electrons comes from the Y direction drift of the fast electrons （Te ≥25 eV） due to the action of the magnetic fields. This drift also increases the number of vibration excitation collisions in the -Y direction, and results in the increase of Ha in the -Y direction, eventually leading to the -Y drift of H^-. It explains the spatial non-uniformity in the JAEA 10 A ion source.

Differentially weighted direct simulation Monte Carlo method for particle collision in gas-solid flows

In gas-solid flows, particle-particle interaction （typical, particle collision） is highly significant, despite the small particles fractional volume. Widely distributed polydisperse particle population is a typical characteristic during dynamic evolution of particles （e.g., agglomeration and fragmentation） in spite of their initial monodisperse particle distribution. The conventional direct simulation Monte Carlo （DSMC） method for particle collision tracks equally weighted simulation particles, which results in high statistical noise for particle fields if there are insufficient simulation particles in less-populated regions. In this study, a new differentially weighted DSMC （DW-DSMC） method for collisions of particles with different number weight is proposed within the framework of the general Eulerian-Lagrangian models for hydrodynamics. Three schemes （mass, momentum and energy conservation） were developed to restore the numbers of simulation particle while keeping total mass, momentum or energy of the whole system unchanged respectively. A limiting case of high-inertia particle flow was numerically simulated to validate the DW-DSMC method in terms of computational precision and efficiency. The momentum conservation scheme which leads to little fluctuation around the mass and energy of the whole system performed best. Improved resolution in particle fields and dynamic behavior could be attained simultaneously using DW-DSMC, compared with the equally weighted DSMC. Meanwhile, computational cost can be largely reduced in contrast with direct numerical simulation.

磁流变智能液场致微结构变化的Monte Carlo模拟

从磁流变液中存在的各种相互作用势出发，对Ｎ＝１００个球形羰基铁颗粒均匀分布于一正方形二维体系之中的物理模型，利用ＭｏｎｔｅＣａｒｌｏ方法和Ｍｅｔｒｏｐｌｉｓ算法着重计算了磁流变智能液的场致微结构变化。计算结果表明，磁流变液（ＭＲＦ）的流变效应在外磁场中的变化是由于其ＭＲＦ中磁性颗粒的成链团簇有序化所致。这与磁流变液在外磁场中熵的下降和对ＭＲＦ的光学显微镜观察结果是一致的。

溅射金超微粒生长规律的Monte Carlo模拟

溅射金超微粒(AuUFP)的实验研究结果表明:AuUFP的凝聚和演化生长可分为近时域和远时域两个过程.前者超微粒尺寸与时间关系服从幂次规律;后者超微粒尺寸与时间关系服从对数规律.采用铁磁Ising模型和动态座逾渗模型分别模拟分析AuUFP的溅射凝聚和演化生长过程,探索了AuUFP产生与紧致生长动力学特性.

气固两相流中颗粒碰撞的Monte-Carlo数值模拟

利用颗粒碰撞动力学模型和颗粒几何碰撞率模型,采用Monte-Carlo算法来模拟颗粒之间碰撞,把该算法与求解雷诺应力-概率密度函数模型的有限差分-MonteCarlo算法耦合起来,对轴对称突扩通道内的两相旋流场进行了数值模拟,模拟结果表明,由于颗粒碰撞使颗粒的动能和湍动能在三个坐标方向上进行了再分配,从而导致颗粒的动能和湍动能在三个坐标方向上趋于各向同性;另外,由于颗粒碰撞破坏了颗粒-颗粒、颗粒-流体微团之间的速度关联,从而造成颗粒湍动能及两相速度脉动关联的降低。

超薄膜生长的Monte Carlo模拟研究

利用Monte Carlo(MC)方法模拟研究了薄膜生长的初始阶段岛的形貌和岛的尺寸与基底温度和入射粒子剩余能量之间的关系.模型中考虑了粒子的沉积、吸附粒子的扩散和蒸发等过程.结果表明当基底温度从200K变化到260K时,岛的形貌经历了一个从分散生长逐渐过渡到分形生长的过程,并且在较低温度(200K)下,随入射粒子剩余能量的增加,岛的形貌也经历了同样的变化过程.进一步研究证明,随着基底温度的升高或入射粒子剩余能量的增加,沉积粒子的扩散能力显著增强,从而使岛的形貌发生了改变.

模拟颗粒凝并过程的快速Monte Carlo方法

对常规异权值Monte Carlo(MC)方法进行改进,基于强核函数思想,通过颗粒群单重遍历即可求得强核函数最大值,采用接受-拒绝法随机搜寻凝并对,并利用搜寻过程中拒绝和接受的所有凝并对的信息来估计凝并事件的等待时间(时间步长),从而避免颗粒群的双重遍历,以提高MC的效率.对典型工况的模拟结果显示该快速方法计算代价仅为O(Ns),能够显著提高计算效率,同时保持足够的计算精度,较好地协调计算代价与计算精度之间的矛盾.

磨矿粒度动态过程的一种快速Monte Carlo仿真方法

磨矿是降低矿物粒度的工业过程,产品粒度是磨矿过程的关键质量指标.由于磨矿粒度难以在线检测且磨矿生产过程具有综合复杂特性,难以采用传统控制方法实现磨矿粒度的控制.因此,建立磨矿粒度和关键工艺参数的动态模型对于磨矿运行控制和优化具有重要意义.采用总量平衡原理获得磨矿粒度的微分方程模型多数情况下无法获得解析解.而基于Monte Carlo(MC)方法的磨矿粒度模型能够精确模拟磨矿粒度分布的动态变化,但是其仿真效率低难以实用.本文针对这一问题提出一种新的MC仿真方法:在定总量方法的基础上引入新的颗粒移除机制,在移除过程中动态地分配各个粒级颗粒数目并保持破裂前后各个粒级颗粒所占总颗粒数的百分比不变,避免颗粒移除过程中由于粒级差异导致的抽样误差,且避免MC仿真速度随着仿真推进下降的问题.仿真实验验证表明,本方法能够在保证一定精度前提下显著提高磨矿粒度MC仿真的计算速度.最后,通过一个实例介绍了本文仿真模型在磨矿优化控制中的应用.

含固体颗粒嵌段共聚高分子熔体微相结构的Monte Carlo模拟

采用改进的键长涨落空穴扩散算法,在立方格子上对含固体颗粒的两嵌段共聚高分子熔体的微相结构进行了Monte Carlo(MC)模拟. 重点考察了固体颗粒的大小、固体颗粒与嵌段共聚高分子的选择性作用、共聚高分子链的组成fA等因素对熔体微相结构的影响. 模拟结果表明,固体颗粒与高分子链节有选择性吸附作用时不利于形成层状相,而倾向于形成柱状或网络状结构;适当大小的惰性固体颗粒(与高分子链嵌段的长度相当)有利于系统形成层状相结构;无论系统是否含有固体颗粒,嵌段共聚高分子的对称程度增加都有利于形成层状结构.