The influence of dust particle geometry on its charge and plasma potential

In this paper, a self‐consistent numerical model describing the behaviour of plasma around isolated highly charged dust particles with different shapes of rotation figures is presented. Dust particles in the form of a sphere, oblate ellipsoids (disk‐like particles), and elongated ellipsoids (rod‐like particles) are considered in the presence of an external electric field. Using the developed model, self‐consistent distributions of a space charge and plasma potential are obtained around non‐spherical dust particles. These distributions are carefully analysed by decomposing them in a series of Legendre polynomials. Decompositions of these distributions are compared with particles of different geometry. In addition, for different geometries of dust particles, the dependencies of the charge of a dust particle on geometry in the absence of an external field are investigated.     

Plasma Polarization Around Dust Particle in an External Electric Field

The effect of plasma polarization around a negatively charged dust particle is investigated with the help of Monte Carlo simulation of ion trajectories in the electric field of the dust particle and an external electric field. The induced dipole moment of such a system was estimated in a wide range of dust particle and plasma parameters. It is shown that the dipole moment is very large, and has a non‐monotonous dependence on the external electric field. For a small external electric field, it weakly depends on the charge of the dust particle. The dipole moment reduces with the decrease of ion mean free path (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Radial Distributions of Dusty Plasma Parameters in a DC Glow Discharge

A non‐stationary non‐local kinetic model for radial distributions of dusty plasma parameters based on the solution of Boltzmann equation for electron energy distribution function is presented. Electrons and ions production in ionizing collisions and their recombination on dust particle surface were taken into account. The drift‐diffusion approximation for ions was used. To obtain the self‐consistent radial distribution of electric potential the Poisson equation was used. It is shown that at high dust particle density the recombination of electrons and ions can exceed their production in ionization collisions in the region of dusty cloud. In this case the non‐monotonous radial distribution of the electric field is formed, the radial electric field becomes reversed and the radial electron and ion fluxes change their direction toward the center of the tube (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Molecular properties and potential energy function model of BH under external electric field

Using the density functional B3P86/cc-PV5Z method, the geometric structure of BH molecule under different external electric fields is optimized, and the bond lengths, dipole moments, vibration frequencies, and other physical properties parameters are obtained. On the basis of setting appropriate parameters, scanning single point energies are obtained by the same method and the potential energy curves under different external fields are also obtained. These results show that the physical property parameters and potential energy curves may change with external electric field, especially in the case of reverse direction electric field. The potential energy function without external electric field is fitted by Morse potential, and the fitting parameters are obtained which are in good agreement with experimental values. In order to obtain the critical dissociation electric parameter, the dipole approximation is adopted to construct a potential model fitting the corresponding potential energy curve of the external electric field. It is found that the fitted critical dissociation electric parameter is consistent with numerical calculation, so that the constructed model is reliable and accurate. These results will provide important theoretical and experimental reference for further studying the molecular spectrum, dynamics, and molecular cooling with Stark effect.     

Solution of the Dipoles in Noncommutative Space with Minimal Length *

The single neutral spin-half particle with electric dipole moment and magnetic dipole moment moving in an external electromagnetic field is studied. The Aharonov-Casher effect and He-McKellar-Wilkens effect are emphatically discussed in noncommutative (NC) space with minimal length. The energy eigenvalues of the systems are obtained exactly in terms of the Jacobi polynomials. Additionally, a special case is discussed and the related energy spectra are plotted.     

Interaction between glow discharge plasma and dust particles

The effect of dust particle concentration on gas discharge plasma parameters was studied through development of a self-consistent kinetic model which is based on solving the Boltzmann equation for the electron distribution function. It was shown that an increase in the Havnes parameter causes an increase in the average electric field and ion density, as well as a decrease in the charge of dust particles and electron density in a dust particle cloud. Self-consistent simulations for a wide range of plasma and dust particle parameters produced several scaling laws: these are laws for dust particle potential and electric field as a function of dust particle concentration and radius, and the discharge current density. The simulation results demonstrate that the process of self-consistent accommodation of parameters of dust particles and plasma in condition of particle concentration growth causes a growth in the number of high-energy electrons in plasma, but not to depletion of electron distribution function.     

外电场下BH分子势能函数

运用密度泛函B3P86方法和cc-PV5Z基组,获得了BH分子基态在不同外电场下的键长、偶极矩和振动频率等物理性质参数.通过分析物理性质参数,判断离解电场所处的范围,设置合适的参数扫描该范围的单点能获得势能曲线.结果表明物理性质参数和势能值随外电场的变化而变化,特别是在反向电场中.利用Morse势模型拟合无外场下势能函数,得到的拟合参数与实验值吻合较好,采用偶极近似构建外电场下的势能函数模型,编制程序拟合对应的势能函数,得出拟合参数,再计算临界离解电场参量,结果与数值计算值较为一致,说明构建的模型是可靠和准确的.为分析外场下分子光谱、动力学特性和分子Stark效应冷却囚禁提供理论参考.     

CH自由基在外电场中的分子结构和势能函数

运用密度泛函B3P86方法,结合Dunning的相关一致五重基cc-PV5Z,获得了CH自由基分子在不同外电场中的键长、偶极矩和振动频率等物理性质参数.通过分析物理性质参数的变化,判断离解电场所处的范围,设置合适的参数扫描该范围的单点能获得势能曲线.结果表明物理性质参数和势能值随外电场的变化而变化,且反向电场中变化幅度较大.利用Morse势模型拟合无外场下势能函数,得到的拟合参数与实验值吻合较好,采用偶极近似构建外电场下的势能函数模型,编制程序拟合对应的势能函数,得出拟合参数,进而计算临界离解电场参量,结果与数值计算值较为一致,说明构建的模型是可靠和准确的.这为分析外场下分子光谱、动力学特性和分子Stark效应冷却囚禁提供重要的理论和实验参考.     

外电场对BeH分子结构和势能函数的影响

采用密度泛函B3P86方法,结合Dunning的相关一致五重基cc-PV5Z,设置不同的外电场参量进行优化计算,获得了不同外电场下Be H分子的键长、偶极矩、振动频率和红外光谱等物理性质参数.通过分析参数随外电场的变化关系,判断离解电场所处的范围,设置合适的外电场参数,采用单双取代耦合团簇CCSD(T)方法,扫描计算该范围的单点能获得其势能曲线.结果分析表明物理性质参数和势能随外电场的变化而变化,且外加反向电场时变化幅度更大.采用偶极近似构建外电场下的势能函数模型,编制程序拟合对应的势能函数,得出拟合参数,进而计算临界离解电场参量,结果与数值计算和理论分析较为一致,说明构建的模型是合理和可靠的.这为分析外场下分子光谱、动力学特性和分子Stark效应冷却囚禁提供重要的理论和实验参考.     

外电场对BeH分子结构和势能函数的影响

采用密度泛函B3P86方法, 结合Dunning的相关一致五重基,设置不同的外电场参量进行优化计算,获得了不同外电场下BeH分子的键长、偶极矩、振动频率和红外光谱等物理性质参数. 通过分析参数随外电场的变化关系,判断离解电场所处的范围,设置合适的外电场参数,采用单双取代耦合团簇方法,扫描计算该范围的单点能获得其势能曲线. 结果分析表明物理性质参数和势能随外电场的变化而变化,且外加反向电场时变化幅度更大.采用偶极近似构建外电场下的势能函数模型,编制程序拟合对应的势能函数,得出拟合参数,进而计算临界离解电场参量,结果与数值计算和理论分析较为一致,说明构建的模型是合理和可靠的.这为分析外场下分子光谱、动力学特性和分子Stark效应冷却囚禁提供重要的理论和实验参考.     

外电场作用下BrCl分子的物理特性与光谱

采用HF （Hartree-Fock）方法,在6-31+G（d,p）基组水平上优化不同外电场（0~0.035 a.u.）下氯化溴分子的基态稳定构型,在此基础上计算氯化溴分子的分子结构、偶极矩、分子总能量、分子键长、分子电荷分布、分子能隙、红外光谱及解离势能面等.结果表明：随着Z轴（平行于Br-Cl连线）方向外电场的增加（0~0.035 a.u.）,分子总能量先小幅度增加后又降低,键长先减小后增大,分子偶极矩先减小后单调增加,原子电荷分布递增,分子能隙逐渐减小,分子红外光谱先蓝移后红移.通过对解离势能面的计算分析发现,强度为0.045 a.u.的外电场使得Br-Cl键断裂而降解,该结果对氯化溴进行电场降解提供参考依据.     

强外电场作用下BN分子的结构与激发特性

采用密度泛函理论的B3LYP方法在6-311++g(d.p)水平上优化得到了BN分子轴向加不同外电场时的基态结构参数,包括键长、电偶极矩、电荷分布、前线轨道、红外光谱.计算结果表明,随着正向电场增加,分子结构参数与外电场强度有明显关联,并呈现不对称性.另外,在同样的基组下利用合时密度泛函理论方法研究了外电场对BN分子激发能和振子强度的影响.结果表明,电子跃迁光谱随正向电压的增加而呈现蓝移现象,但振子的强度与电场关联较为复杂,说明光谱强度易受外电场影响.     

Variation in thickness of wetting water films in nonuniform electric field

We study the effect of an increase in the thickness of a water film at the inner surface of a glass capillary filled with a NaCl solution and with a disperse octane particle in the form of a column bounded by circular menisci under the action of an external dc electric field. Experimental data are obtained on the film thickness depending on the field characteristics. Analysis of experimental data shows the conformity of experimental data to early model ideas of authors. The projection of the constant dipole moment of a water molecule onto the field direction is estimated on the basis of these ideas.     

A One‐Dimensional Particle‐in‐Cell Model of Plasma Build‐Up in Vacuum Arcs

Understanding the mechanism of plasma build‐up in vacuum arcs is essential in many fields of physics. A one‐dimensional particle‐in‐cell computer simulation model is presented, which models the plasma developing from a field emitter tip under electrical breakdown conditions, taking into account the relevant physical phenomena. As a starting point, only an external electric field and an initial enhancement factor of the tip are assumed. General requirements for plasma formation have been identified and formulated in terms of the initial local field and a critical neutral density. The dependence of plasma build‐up on tip melting current, the evaporation rate of neutrals and external circuit time constant has been investigated for copper and simulations imply that arcing involves melting currents around 0.5–1 A/μm², evaporation of neutrals to electron field emission ratios in the regime 0.01 – 0.05, plasma build‐up timescales in the order of ～ 1 – 10 ns and two different regimes depending on initial conditions, one producing an arc plasma, the other one not. Also the influence of the initial field enhancement factor and the external electric field required for ignition has been explored, and results are consistent with the experimentally measured local field value of ～ 10 GV/m for copper (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

氯乙烯在外电场下的激发态结构研究

采用密度泛函B3P86方法在6-311G基组上优化了不同外电场作用下氯乙烯分子的基态几何结构、电偶极矩和分子的总能量,然后利用杂化CIS-DFT方法(CIS-B3P86)在相同基组下探讨了无电场时氯乙烯分子前9个激发态的激发能、波长和振子强度和外电场对氯乙烯分子激发态的影响规律.结果表明,分子的几何构型与外电场大小有着强烈的依赖关系.随着外电场的增大,分子总能量先增大后减小,电偶极矩μ先减小后增大.激发能随电场增加快速减小,表明在外电场作用下,氯乙烯分子易于激发和离解.激发态波长随电场的增大而不断增大,且其电子跃迁光谱都集中在紫外区.     

Radiation of the Point Source from an Anisotropic Plasma Cylinder

We obtain and analyze an analytical solution to the problem of electromagnetic-wave radiation of the point electric dipole from an anisotropic plasma cylinder to free space. Two cases of the dipole orientation are considered, where the electric dipole is directed along and across a horizontal magnetic field whose direction does not coincide with the axes of a cylindrical coordinate system. We analyze how the conditions and characteristics of the resonance influence of the anisotropic plasma cylinder depend on the strength of the magnetic field and its direction with respect to the dipole moment of the source. Comparative analysis of the resonance influence of the plasma cylinder with horizontal and axial external magnetic fields is performed.     

ZnO在辐射场中的光激发特性研究

采用密度泛函理论的BPV86方法, 在6-311G++(d, p)基组水平上优化了不同外电场(0～0.080 a.u.)下氧化锌分子的基态稳定构型, 在此基础上利用同样的方法计算了氧化锌分子的分子结构、偶极矩、总能量、能隙以及红外光谱和紫外-可见吸收光谱强度。结果表明, 在外电场的作用下, 分子结构变化明显, 与电场呈现强烈的依赖关系。随着正向外加电场的增加, ZnO分子键长一直在增大, 电偶极距也是一直增大, 分子总能量不断减小, 分子能隙不断减小, 红外光谱吸收峰出现红移现象。随着外电场的加强, 分子紫外可见吸收光谱振子强度先增大后减小再增大再减小反复变化, 其波峰则出现蓝移现象。     

外场下丙烯酸甲酯的激发特性研究

采用密度泛函B3LYP方法在6-311+ +G* *基组上优化了不同外电场作用下丙烯酸甲酯分子的基态几何结构、电偶极矩和分子的总能量,并且分析了分子的HOMO-3到LUMO+3轨道的能量变化,然后利用杂化CIS-DFT方法(CIS-B3LYP)在相同基组下探讨了无电场时丙烯酸甲酯分子前9个激发态的激发能、波长和振子强度和外电场对丙烯酸甲酯分子激发态的影响规律.结果表明,分子的几何构型与外电场大小有着较强的依赖关系.随着外电场的增大,分子总能量先增大后减小,电偶极矩μ先减小后增大,激发能随电场 关键词： 丙烯酸甲酯 外电场 振子强度 激发能