流注放电低温等离子体中电子输运系数计算的蒙特卡罗模型

流体或者粒子-流体混合数值仿真是研究流注放电基本物理机制的常用手段,而精确的电子输运系数是保证其仿真正确性的必要前提.鉴于现有电子输运系数求解工具存在一定缺陷,本文开发了采用蒙特卡罗方法求解低温等离子体中电子输运系数的仿真工具,测试表明其准确性和精确度均较高.研究了氮氧气体混合比及大气压下三体碰撞吸附对电子输运系数的影响.氮气中流注放电仿真表明,流体仿真中采用本模型改进后的电子输运系数可显著改善流注通道内部的等离子体参数分布.     

热辐射输运问题的高效蒙特卡罗模拟方法

惯性约束聚变研究中,热辐射光子在介质中的输运以及热辐射光子与介质的相互作用是重要研究课题,蒙特卡罗方法是该类问题的重要研究手段之一.隐式蒙特卡罗方法虽然能正确地模拟热辐射在介质中的输运过程,但当模拟重介质(材料的吸收系数大)问题时,该方法花费的计算时间将变得很长,导致模拟效率很低.本文以离散扩散蒙特卡罗方法为基础,开发了"离散扩散蒙特卡罗方法辐射输运模拟程序",可以较好地解决重介质区的计算效率问题,但是离散扩散蒙卡罗方法在模拟轻介质区时精度不够高.辐射输运问题中通常既有轻介质也有重介质,为了能同时解决蒙特卡罗方法模拟的效率和精度问题,本文研究了离散扩散蒙特卡罗方法与隐式蒙特卡罗方法相结合的模拟方法,并提出了新的扩散区与输运区界面处理方法,研制了混合蒙特卡罗方法的辐射输运模拟程序.典型辐射输运问题模拟显示:在模拟重介质问题时,该程序能大幅缩短模拟时间,且能取得与隐式蒙特卡罗方法一致的结果;在模拟轻重介质均存在的问题时,与隐式蒙特卡罗方法相比,混合蒙特卡罗方法的模拟精度与其相当且计算效率同样能够得到显著提升.     

蒙特卡罗粒子输运问题的全局降方差方法

精确获得中子通量的时间-空间-能量精细分布对于一类非定常粒子输运蒙特卡罗模拟至关重要.以零方差理论为基础,采取化整为零的策略,把蒙特卡罗方法与离散纵标方法相耦合,用近似重要函数指导蒙特卡罗模拟,给出一种实现蒙特卡罗全局降方差的计算方案.数值算例表明,该计算方案获得了全局降方差的效果.     

考虑中子泄漏修正的快堆蒙特卡罗少群截面参数制作与验证方法

一种基于B1均匀化方程的泄漏修正模型在连续能量蒙特卡罗程序TRIPOLI4中得以实现并且用于制作少群截面参数。此蒙卡泄漏修正模型通过在连续能量的蒙卡模拟以及求解B1均匀化方程之间迭代,最终得到蒙卡模拟下的临界状态。通过此方法得到的少群截面参数较其他蒙卡以及确定论方法有两点显著优势:用于求解B1均匀化方程的少群常数是用通过临界状态的通量谱得到的;考虑了泄漏效应的蒙卡模拟可以更真实地反映组件计算时的能谱状态。为验证此泄漏修正模型,一个由连续能量的TRIPOLI4模拟而得到的数值临界实验被用于分析与比较。通过与其他蒙卡程序SERPENT以及确定论程序ECCO进行结果对比,可证明此B1泄漏修正方法能够给出更精确的用于堆芯计算的少群截面参数。     

Monte Carlo sampling for gamma and beta detectors using a general purpose PC program

The main objective of this study is the computation of several parameters involved in gamma and beta environmental radiation measurements, such as detection efficiency, the attenuation coefficients, mass energy-transfer coefficients and mass energy-absorption coefficients for several materials. In order to accomplish these tasks we developed a PC program, based on a Monte Carlo simulation of radiation transport. This program (GES_MC Gamma-electron Efficiency Simulator) was written entirely in Java and was based on the EGSnrc (Electron Gamma Shower) source code. Although GES_MC was especially designed for the computation of the response function and peak efficiency for gamma detectors, it can also be used in various studies concerning photon or electron interactions with the matter in any cylindrical (RZ) geometry. Several aspects of photon and electron transport and the comparison of the program outputs with experimental data are also presented in this study.The main advantage of the Monte Carlo simulations presented in this paper is that any source and any detector can be properly sampled. In contrast with the Monte Carlo technique, for an accurate experimental result, the computation of detector efficiency for a large number of standard sources having various geometries and compositions is required (one standard source for each sample type).     

Hydrodynamic simulation of electron transport in n-type Hg<Subscript>0.8</Subscript>Cd<Subscript>0.2</Subscript>Te

A hydrodynamic approach based on concentration, velocity and energy conservation equations is developed and used for the simulation of the electron transport in bulk HgCdTe. Both transient and steady-state regimes are simulated using input parameters calculated with a Monte Carlo simulator. The model is validated through a comparison in excellent agreement with Monte Carlo results.     

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采用蒙特卡罗模型对氮空心阴极放电等离子体鞘层离子(N2 、N )的输运过程进行了模拟研究,计算了阴极鞘层中氮离子(N2 、N )的能量及角分布的空间变化和粒子密度及平均能量随放电参数的变化规律。研究结果表明:空心阴极放电产生的氮离子,在鞘层输运过程中,N2 是密度几乎不变的低能粒子;N 是密度逐渐减少的高能粒子。随着电压增加,N 密度减小,平均能量增加;N2 密度和平均能量变化不明显。能量及入射角的相对分布规律与平板电极氮直流辉光放电基本类似,但圆筒空心阴极放电更有利于氮离子的产生。     

THEORETICAL INVESTIGATION OF ELECTRON-NEUTRAL ATOM COLLISION PROCESS AND ELECTRON TRANSPORT PARAMETERS IN DC GLOW DISCHARGE OF PLASMA WITH A TRANSVERSE MAGNETIC FIELD

A Monte Carlo simulation (MCS) technique is used to simulate the cathode sheath region of a helium dc glow discharge. In such a simulation, a nonuniform electric field and a transverse uniform magnetic field are considered. When the magnetic field intensity increases from 0 to 800 G, all types of collision considered in this paper are enhanced. This result is in agreement with the experimental result. The results also show that with the increase of magnetic field intensity, the electron transport time, the electron density increase, and the electron mean energy decreases.     

低场低能区金刚石内载流子飞行时间的蒙特卡洛模拟

金刚石是一种重要的宽禁带半导体材料,对金刚石内载流子输运过程的研究将有助于了解金刚石用作各种电子器件的潜能。利用Monte Carlo模拟方法,研究了在低场低能区金刚石内载流子的飞行时间。在模拟中考虑了抛物线型能带模型和声学声子散射机制,以及样品对光的吸收和载流子在Brillouin区边界的Bragg反射。通过模拟,得到了低场低能区金刚石材料内载流子的飞行时间分布,并与相关的实验结果进行了比较分析,验证了该模拟模型的正确性。研究结果表明,在低场低能区,金刚石材料内主要的散射机制是声学声子散射。在研究金刚石材料内载流子的迁移输运问题时,可以采用较为简单的抛物线型能带模型,但在研究薄样品中的载流子输运时应当考虑材料的光吸收对初始载流子分布的影响,而且在场强较高以及样品厚度较大时,应当考虑载流子在Brillouin区边界的Bragg反射。     

Monte Carlo simulation of thermalization process of sputtered particles

The transport process of sputtered particles in plasma sputter deposition was studied by computer simulation using the Monte Carlo method, with particular attention to the understanding of the thermalization process. Due consideration was taken of the momentum loss as well as of the energy loss of sputtered particles colliding with sputter gas molecules. The results clearly showed that with increasing target-substrate distance, the energy distribution of sputtered copper atoms arriving at the substrate shifts toward lower kinetic energies, but still contains a considerable fraction of high energy particles. In addition, it was found that the arrival rate of sputtered copper atoms at the substrate decreases exponentially with the target-substrate distance, while the return rate to the target first increases and then becomes constant. It was concluded that the present Monte Carlo simulation can be successfully used for a quantitative estimation of the transport process of sputtered particles.     

横向磁场对辉光等离子体阴极区电子输运过程的影响

本文动用改进的蒙特卡罗技术，研究了横向磁场对氦气直流辉光放电阴极区电子输运过程的影响。     

Particle-in-Cell/Monte Carlo Collision simulation of planar DC magnetron sputtering

In this paper a numerical simulation of a planar DC magnetron discharge is performed with the Particle-in Cell/Monte Carlo Collision （PIC/MCC） method. The magnetic field used in the simulation is calculated with finite element method according to experimental configuration. The simulation is carried out under the condition of gas pressure of 0.665 Pa and voltage magnitude of 400V. Typical results such as the potential distribution, charged particle densities, the discharge current density and ion flux onto the target are calculated. The erosion profile from the simulation is compared with the experimental data. The maximum erosion position corresponds to the place where the magnetic field lines are parallel to the target surface.     

Equation of state of long chain molecules and rings

An equation of state for long chain molecules has been proposed using statistical associating fluid theory (SAFT). The formalism derived here is based on the assumption that the chain is formed by the pairs of trimers. The equations of state for 48-mers and 192-mers are formulated and compared with Monte Carlo results. The theory has been developed to treat hard sphere molecules with two attraction sites to form a ring molecule. The equations of state for trimer, hexamer and 12-mer ring molecules have been formulated. There is excellent agreement with available Monte Carlo results. Second virial coefficients of tangent chain molecules and ring molecules have been determined numerically and compared with simulation results.     

ECR微波放电氩离子输运过程的研究

建立了电子回旋共振（ＥＣＲ）微波放电等离子体中离子输运过程的蒙特卡罗模型，考虑了离子与中性原子的电荷交换碰撞和弹性碰撞，以及精确依赖于离子能量的电荷交换和动量转移截面，模拟了源于氩气ＥＣＲ微波放电的氩离子向衬底输运的过程，得到与实验报道相符的模拟结果。     

带电离子“详细历史”蒙特卡罗模拟方法

从带电离子与物质相互作用的机理出发,研究"详细历史法"模拟的方法与步骤.开发了自适应步长的详细历史法模拟程序ITR(ions transport and reaction).用程序TRIM和Corteo对其进行校验.模拟结果符合的很好,并且速度上有一定优势.     

组合几何蒙特卡罗粒子输运支撑软件框架JCOGIN介绍

介绍了JCOGIN支撑软件框架层次式、模块化的体系结构及其核心数据结构。这些使得JCOGIN软件框架能够支撑大规模复杂几何的蒙特卡罗（MC）粒子输运并行计算。同时介绍了在JCOGIN支撑软件框架下研发的JMCT程序,并进行了性能测试,在2万处理器核上模拟20亿粒子,并行效率达到70%。     

热辐射输运问题的隐式蒙特卡罗方法求解

热辐射与物质相互作用及辐射光子在物质中的传输是惯性约束聚变研究中的重要课题. 介绍了基于隐式蒙特卡罗方法的辐射输运方程,在该方程的积分-微分形式基础上,推导了利于蒙特卡罗方法模拟的等价的积分输运方程;基于积分方程设计数值模拟流程,编写三维蒙特卡罗数值模拟程序;针对热辐射输运典型问题及benchmark问题开展了数值实验,计算结果验证了方法的适应性及程序的正确性. 关键词： 热辐射 惯性约束聚变 输运方程 隐式蒙特卡罗     

电子回旋共振放电电离特性的PIC/MCC模拟

A theoretical and computational model is presented to study the ionization of the argon electron cyclotron resonance(ECR)microwave discharge using a quasi-three-dimensional electromagnetic particle-in- cell plus Monte Carlo collision method.The interaction between the charged particles and microwave fields are described by the electromagnetic mode of particle-in-cell method.The collision processes are treated with Monte Carlo method.The simulation code is the original work.The results of the particle simulation for the ECR discharge of argon gas which include the microscopic features of charged particles and the electromagnetic characteristics of the ECR discharge plasma,and also the transient phenomena have been presented.     

基于蒙特卡罗正算输运的全局减方差方法

蒙特卡罗方法是当前形势下辐射屏蔽计算的首选分析工具。小概率深穿透问题则是屏蔽计算的关键与亟待解决的核心问题,需要使用有效的减方差技巧。针对全局问题,利用蒙特卡罗正算输运得到的粒子通量或探测响应来构建权重窗参数,将现有的粒子位置偏移拓展到位置和能量偏倚。利用国际屏蔽基准题进行测试验证,通过使用该方法,粒子被引导到模型的所有位置。平均相对误差降低到10%以下,几乎所有网格区域都有粒子统计。结果表明,基于蒙特卡罗正算输运的输运偏倚参数构建方法能够实现全局减方差。     

Determination of mass attenuation coefficient of low-Z dosimetric materials

The mass attenuation coefficients of some low-Z dosimetric materials with potential applications in dosimetry, medical and radiation protection have been investigated using the Monte Carlo simulation code Monte Carlo N-Particle (MCNP). Appreciable variations are noted for the mass attenuation coefficient by changing the photon energy. The MCNP-simulated parameters are compared with the experimental data wherever possible and theoretical values through the WinXcom program. The simulated results obtained by MCNP generally agree well with the experiment and WinXcom predictions for various low-Z dosimetric and tissue substitute materials. In addition, the mass attenuation coefficients around the k-edges for low-Z dosimetric materials estimated from the MCNP code agree very well with WinXcom prediction. Finally, the results indicate that this simulation process can be followed to determine the interaction parameters of gamma rays in such low-Z materials for which there are no satisfactory experimental values available.