体积产生负氢离子能量沉积及引出效率数值模拟研究

深入研究了负氢离子输运及能量沉积机理,采用全三维蒙特卡罗碰撞方法处理负氢离子与其他粒子间的碰撞,运用CHIPIC软件平台下的PIC(particle-incell)技术处理粒子的储存和磁场约束作用,在此基础上,对JAEA 10 A离子源中体积产生负氢离子输运和散射情景进行了模拟,并分析和讨论了不同气压和过滤磁场对体积产生负氢离子传输和引出特性的影响.结果显示:气压越大,体积产生负氢离子碰撞损耗越大,体积产生负氢离子达到器壁的数量和被引出的数量都越小;低气压放电环境中,过滤磁场对体积负氢离子的引出影响更强烈,且过滤磁场越大,引出效果越差.     

表面产生负氢离子引出MCC算法设计

本文深入研究负氢离子输运及引出物理机理,理论分析了交换电荷反应及库仑碰撞过程,并设计了相应数值计算模块.在此基础上,采用有限差分法计算负氢离子所受洛伦兹力,运用蒙特卡罗碰撞方法处理负氢离子与其他粒子间的碰撞,成功研制了表面产生负氢离子输运及引出的全三维MCC算法,结合国外热门离子源JAEA 10A离子源进行模拟验证,结果显示:随着过滤磁场增大,引出离子数越大,离子源空间生存离子总数越小;当过滤磁场较小时,气压越大引出离子数越多,当过滤磁场较大时,气压越小引出离子数越多.     

基于负氢离子源的全三维PIC/MCC模拟算法研究

在分析负氢离子源中等离子体物理机理基础下, 研究并优化粒子模拟算法, 设计高效的粒子存储方法. 研究并运用粒子碰撞蒙特卡罗方法, 考虑等离子体势以及带电粒子间库仑碰撞, 研制了全三维粒子模拟/蒙特卡罗算法(PIC/MCC). 采用磁荷模型, 运用时域有限差分方法计算多峰磁场, 并结合国外负氢离子源JT-60U, 考虑负氢离子源中主要反应, 对全三维PIC/MCC模拟算法模拟验证.     

负氢离子源中电子能量沉积三维数值模拟研究

本文理论计算了多峰离子源永磁体, 采用二体碰撞模型(binary collision)处理电子之间的库仑碰撞, 采用空碰撞(null-collision)方法处理电子与氢元素相关粒子, 开发了全三维PIC-MCC模拟算法, 并利用该算法模拟了多峰离子源中电子沉积过程, 分析了多峰磁场对电子的空间和能量分布影响, 结果显示: 电子的非均匀分布起源于高能电子在引出区的B× ▽B漂移.     

15～20 mA多峰负氢离子源全三维数值模拟

对自主开发的全三维粒子模拟/蒙特卡罗(PIC/MCC)算法进行了阐述,包括算法流程设计、碰撞处理机制等。采用该算法对中国原子能科学研究院研制的15~20mA负氢离子源进行数值模拟研究,结果显示:该多峰会切离子源能得到空间分布均匀的离子束,采用优化后的虚拟过滤场,不仅能有效过滤高能电子,还将导致离子源下游区域低能电子增多,有效提高负氢离子体积产生效率。     

15~20 mA多峰负氢离子源全三维数值模拟

对自主开发的全三维粒子模拟/蒙特卡罗（PIC/MCC）算法进行了阐述,包括算法流程设计、碰撞处理机制等。采用该算法对中国原子能科学研究院研制的15~20 mA负氢离子源进行数值模拟研究,结果显示：该多峰会切离子源能得到空间分布均匀的离子束,采用优化后的虚拟过滤场,不仅能有效过滤高能电子,还将导致离子源下游区域低能电子增多,有效提高负氢离子体积产生效率。     

负氢离子源中多峰磁场形态数值模拟

基于磁荷模型,在有限差分法基础上,推导了3维永磁体数值算法,结合全3维PIC/MCC粒子模拟算法,数值分析比较了外置型和“伞状”型两种特殊形态多峰磁场对电子能量沉积的影响。模拟结果表明:二者都能对粒子起到约束作用且能过滤引出负氢离子,同时二者电子能量分布规律基本一致,都呈现了双电子能态,符合等离子体放电基本机理;外置型过滤磁场对粒子的约束能力更强,能明显产生更多的粒子,总粒子数大约是“伞状”型过滤磁场情况下的4倍;“伞状”型过滤磁场能有效地抑制由磁场不均匀所引起的电子漂移,使产生的负氢离子空间分布更均匀。模拟结果与国外实验结果基本一致。     

Japan Atomic Energy Agency 10 Ampere多峰负氢离子源全三维数值诊断

本文研制了全三维粒子模拟/蒙特卡罗碰撞算法, 并采用该算法对国外研究较热的 Japan Atomic Energy Agency 10 Ampere (JAEA 10A) 离子源进行了全方位的数值诊断, 探索了电子能量沉积过程中电子的横向漂移和能量分布规律, 分析了离子源放电的主要物理参数对电子沉积的影响作用. 模拟及分析结果显示: 电子横向漂移 (-Y方向) 来源于过滤区的磁漂移, 增加过滤磁场, 导致磁漂移增大, 横向漂移加剧, 且电子的利用率增大; 提高放电室气压, 电子的碰撞更频繁, 进而加剧横向非均匀性, 也同时提高电子的利用率. 关键词： Japan Atomic Energy Agency 10 Ampere 多峰负氢离子源 全三维粒子模拟/蒙特卡罗碰撞     

可见光在CsI:Na转换屏中传输的模拟研究

本文用Monte Carlo方法模拟了X射线与转换屏作用产生的可见光子在无晶柱和理想晶柱转换屏中的传输过程,给出了可见光子在转换屏中的点扩展函数,并计算了其MTF.结果表明,晶柱结构的转换屏能有效地改善转换屏的空间分辨特性.同时,本文还给出了转换屏的转换效率及传输效率与球管电压、转换屏厚度之间关系的模拟结果.     

烟尘中电磁波传输特性的Monte Carlo模拟

根据等效颗粒模型和分形理论,运用Mie理论和离散偶极子近似方法分别计算了烟尘簇团粒子在波长为06328?μm的电磁波入射情况下的单次散射特性.根据辐射输运理论,利用Monte Carlo方法对电磁波在烟尘中的传输特性进行数值计算,给出烟尘中反射率和透射率随入射角和烟尘厚度变化的数值结果,并分析了入射角、烟尘粒子的密度和厚度对反射率和透射率的影响.这为研究电磁波在密集分布介质中的传输特性提供了一种方法. 关键词： 烟尘粒子 离散偶极子近似 传输特性 Monte Carlo模拟     

Ground-state calculations of confined hydrogen molecule H2 using variational Monte Carlo method

The variational Monte Carlo method is used to evaluate the ground-state energy of a confined hydrogen molecule H₂. Accordingly, we considered the.me case of hydrogen molecule confined by a hard prolate spheroidal cavity when the nuclear positions are clamped at the foci (on-focus case). Also, the case of off-focus nuclei in which the two nuclei are not clamped to the foci is studied. This case provides flexibility for the treatment of the molecular properties by selecting an arbitrary size and shape for the confining spheroidal box. A simple chemical analysis concerning the catalytic role of enzyme is investigated. An accurate trial wave function depending on many variational parameters is used for this purpose. The obtained results for the case of clamped foci exhibit good accuracy compared with the high precision variational data presented previously. In the case of off-focus nuclei, an improvement is obtained with respect to the most recent uncorrelated results existing in the literature.     

气体电离的全三维电磁粒子模拟/蒙特卡罗数值研究

深入研究电子束对中性气体电离的物理机理,在粒子模拟(PIC)软件CHIPIC的基础上,设计了蒙特卡罗(MCC)电离碰撞模块,并对电子与离子同时进行了跟踪,成功研制了全三维电磁PIC/MCC代码.通过该软件对填充氦气相对论返波管的模拟,对全三维电磁PIC/MCC代码进行验证.模拟结果显示:填充气体可以中和空间电荷限制效应,有效提高电流大小;填充适量的气体可提高功率峰值,扩展脉冲宽度;过量的气体则会缩短脉冲宽度、降低峰值功率.     

Effect of temperature,electric and magnetic field on spin relaxation in single layer graphene: A Monte Carlo simulation study

In this article, we employ the semiclassical Monte Carlo approach to study the spin polarized electron transport in single layer graphene channel. The Monte Carlo method can treat non-equilibrium carrier transport and effects of external electric and magnetic fields on carrier transport can be incorporated in the formalism. Graphene is the ideal material for spintronics application due to very low Spin Orbit Interaction. Spin relaxation in graphene is caused by D'yakonov-Perel (DP) relaxation and Elliott-Yafet (EY) relaxation. We study effect of electron electron scattering, temperature, magnetic field and driving electric field on spin relaxation length in single layer graphene. We have considered injection polarization along z-direction which is perpendicular to the plane of graphene and the magnitude of ensemble averaged spin variation is studied along the x-direction which is the transport direction. This theoretical investigation is particularly important in order to identify the factors responsible for experimentally observed spin relaxation length in graphene.     

Data and modeling of negative ion transport in gases of interest for production of integrated circuits and nanotechnologies

We review techniques to prepare, evaluate and apply sets of cross section and transport data for negative ions that are required for the modeling of collisional non-equilibrium plasmas used for processing of microelectronic circuits. We collect and discuss the transport coefficients and cross section sets.We have compiled data for negative ions in CF₄ and CF₄-related negative ions in rare gases. In addition, we consider data for F⁻ and CF₃⁻ in rare gases. Furthermore, we analyze the cross sections of halogen negative ions in rare gases and other molecules. This is followed by the data for SF₆ related ions in SF₆ and in rare gases. The cross section for scattering of O⁻ in O₂ has been derived from the transport data and used to make calculations of the transport properties. Finally we give a brief discussion of the availability of the data for H⁻ ions in H₂. We have derived cross sections in several cases but the basic aim is to show the basic features of transport coefficients. In particular we discuss the need to represent properly some details such as the non-conservative nature of transport coefficients and the anisotropy of diffusion. Application of approximate theories and representations of cross sections are also discussed.     

Ground states of the hydrogen molecule and its molecular ion in the presence of a magnetic field using the variational Monte Carlo method

ABSTRACT

By using the variational Monte Carlo (VMC) method, we calculated the 1sσ_g-state energies, the dissociation energies, and the binding energies of the hydrogen molecule and its molecular ion in the presence of an aligned magnetic field regime between 0 and 10?a.u. The present calculations are based on using two types of compact and accurate trial wave functions, which are put forward for consideration in calculating energies in the absence of a magnetic field. The obtained results are compared with the most recent accurate values. We conclude that the applications of the VMC method can be successfully extended to cover the case of molecules under the effect of a magnetic field.     

Be^+离子和Li原子极化率和超极化率的理论研究

利用相对论模型势方法计算了Be^+离子和Li原子的波函数、能级和振子强度,进一步得到了基态的电偶极极化率和超极化率,并详细地分析了不同中间态对基态超极化率的贡献.对于Be^+离子,电偶极极化率和超极化率与已有的理论结果符合得非常好.对于Li原子,电偶极极化率与已有的理论结果符合得很好,但是不同理论方法计算给出的超极化率差别非常大,最大的差别超过了一个数量级.通过分析不同中间态对Li原子基态超极化率的贡献,解释了不同理论结果之间有较大差异的原因.